SCHEMBL7019734

SCHEMBL7019734

C[C@H](Nc1nccc(-n2cnc3cc(NCC4CCCN(C(=O)OCc5ccccc5)C4)ccc32)n1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.71
IDH1 O75874 1/20 0.45

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
SCHEMBL7013212 0.88 LCK (0.57) LCKIDH1
SCHEMBL7590193 0.88 LCK (0.57) LCKIDH1
SCHEMBL7021834 0.88 LCK (0.57) LCKIDH1
SCHEMBL7102009 0.86 LCK (0.55) LCKIDH1
SCHEMBL7018133 0.86 LCK (0.55) LCKIDH1
SCHEMBL7592889 0.84 LCK (0.53) LCKIDH1
SCHEMBL7021056 0.84 LCK (0.53) LCKIDH1
SCHEMBL7504210 0.83 LCK (1.00) LCK
SCHEMBL7552175 0.83 LCK (0.64) LCK
SCHEMBL7021368 0.83 LCK (0.64) LCK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed