SCHEMBL3948852

SCHEMBL3948852

CC(C)Cc1cccc2[nH]c(-c3nc(-c4c[nH]nc4C4CCNCC4)cnc3N)nc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.41
WNT1 P04628 1/20 0.39
TGFBR1 P36897 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL3948659 0.92 ATR (0.42) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3956922 0.89 ATR (0.41) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3948208 0.89 ATR (0.40) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3951611 0.87 ATR (0.51) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3954987 0.86 ATR (0.38) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3949324 0.86 WNT1 (0.39) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3954127 0.84 ATR (0.38) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3949893 0.82 EGFR (0.44) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3949584 0.81 ATR (0.40) ATRWNT1TGFBR1CDK1CDK2
SCHEMBL3950242 0.79 EGFR (0.42) ATRCDK1

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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed