SCHEMBL3120163

SCHEMBL3120163

[CH2]CCCCCNC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
MEN1 O00255 1/20 0.52
ABL1 P00519 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
IDE P14735 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
RIN1 Q13671 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HLCS P50747 6/20 0.51
FOLH1 Q04609 3/20 0.49
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CAPN1 P07384 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6884034 0.91 HLCS (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL2514439 0.90 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL2513356 0.90 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL8578177 0.90 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL9241448 0.89 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL712974 0.88 HLCS (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL4295408 0.88 TDP1 (0.52) TDP1MEN1ABL1LMNAPKM
SCHEMBL6883588 0.88 TDP1 (0.52) TDP1MEN1ABL1LMNAPKM
SCHEMBL2439518 0.88 HLCS (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL8760672 0.86 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2002090360-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO disclosed
WO-2002076985-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO disclosed
WO-2002076984-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO disclosed
WO-2002076954-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO disclosed
WO-2002076463-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO disclosed
WO-2002076396-A2 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO disclosed
EP-1177016-A2 COMPOSITION AND METHOD FOR PREVENTING/REDUCING THE SEVERITY OF SIDE EFFECTS OF CHEMOTHERAPY AND/OR RADIATION THERAPY GLAXO GROUP LIMITED (GB) 2002-02-06 EP disclosed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
WO-2000078299-A2 COMPOSITION AND METHOD FOR PREVENTING/REDUCING THE SEVERITY OF SIDE EFFECTS OF CHEMOTHERAPY AND/OR RADIATION THERAPY GLAXO GROUP LIMITED (GB) 2000-12-28 WO disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO disclosed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999021859-A1 AZAOXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-05-06 WO disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 WO disclosed