SCHEMBL3949893

SCHEMBL3949893

CCc1cccc2[nH]c(-c3nc(-c4c[nH]nc4C4CCN(C)CC4)cnc3N)nc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
ATR Q13535 17/20 0.42
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 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
SCHEMBL3950242 0.91 EGFR (0.42) EGFRATRCDK1
SCHEMBL3948659 0.90 ATR (0.42) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3946712 0.89 ATR (0.50) EGFRATRCDK1CDK2MKNK1
SCHEMBL3948852 0.82 ATR (0.41) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3947093 0.81 EGFR (0.43) EGFRATRCDK1CDK2MKNK1
SCHEMBL3956922 0.81 ATR (0.41) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3948208 0.81 ATR (0.40) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3951611 0.79 ATR (0.51) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3954987 0.78 ATR (0.38) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3954127 0.78 ATR (0.38) ATRCDK1CDK2MKNK1MKNK2

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