SCHEMBL3949324

SCHEMBL3949324

BrCC1CC1.Nc1ncc(-c2c[nH]nc2C2CCNCC2)nc1-c1nc2c(CC3CC3)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.39
TGFBR1 P36897 1/20 0.39
ATR Q13535 15/20 0.39
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
RET P07949 2/20 0.34

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
SCHEMBL3956922 0.96 ATR (0.41) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3948659 0.87 ATR (0.42) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3948852 0.86 ATR (0.41) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3954127 0.85 ATR (0.38) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3948208 0.84 ATR (0.40) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3951611 0.83 ATR (0.51) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3954987 0.82 ATR (0.38) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3949893 0.78 EGFR (0.44) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL3949584 0.77 ATR (0.40) WNT1TGFBR1ATRCDK1CDK2
SCHEMBL3950242 0.75 EGFR (0.42) ATRCDK1RET

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