SCHEMBL7695534

SCHEMBL7695534

O=c1[nH]c2nc(NCCCN3CCCC3)ncc2nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 5/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.45
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ AXL P30530 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL7694476 0.94 ALDH1A1 (0.45) ACP1USP2ALDH1A1TP53CYP1A2
SCHEMBL7695066 0.91 MERTK (0.51) ACP1ALDH1A1TP53GLAGAA
SCHEMBL7688448 0.86 MKNK1 (0.51) ALDH1A1HSD17B10MKNK1MALT1TYRO3
SCHEMBL7690773 0.86 HSD17B10 (0.43) USP2ALDH1A1TP53CYP1A2GLA
SCHEMBL7688894 0.85 SLC2A1 (0.50) HRH3USP2ALDH1A1TP53CYP1A2
SCHEMBL7695125 0.85 KDM4E (0.51) ACP1GAAHSD17B10MKNK1PARP1
SCHEMBL7688853 0.79 MAPT (0.47) ALDH1A1GAAMERTK
SCHEMBL7696545 0.78 TSHR (0.45) USP2ALDH1A1TP53CYP1A2GLA
SCHEMBL7696148 0.78 CACNA2D1 (0.46) USP2ALDH1A1TP53CYP1A2GLA
SCHEMBL7695093 0.76 CYP1A2 (0.46) USP2ALDH1A1TP53CYP1A2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002076954-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 — — WO disclosed
Send feedback