SCHEMBL4043371

SCHEMBL4043371

Nc1ncc(-c2ccnc(N3CCNCC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.78
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KARS1 Q15046 1/20 0.42

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
SCHEMBL3058004 0.88 ATR (1.00) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4008991 0.78 ATR (0.60) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4039257 0.76 ATR (0.80) ATR
SCHEMBL4042032 0.76 EGFR (0.62) ATR
SCHEMBL4041097 0.74 EGFR (0.47) ATR
SCHEMBL4011663 0.74 ATR (0.75) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4009550 0.72 ATR (0.72) ATR
SCHEMBL4555462 0.71 ATR (0.81) ATR
SCHEMBL4045589 0.71 EGFR (0.56) ATR
SCHEMBL3051743 0.71 ATR (1.00) ATR

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