SCHEMBL4045369

SCHEMBL4045369

Nc1ncc(Br)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.46
PDPK1 O15530 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
CBFB Q13951 1/20 0.37

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
SCHEMBL4009740 0.89 METAP2 (0.51) ATRMETAP2METAP1CBFB
SCHEMBL4039745 0.85 CBFB (0.47) ATRPRKDCATMCBFB
SCHEMBL4050888 0.83 NPBWR1 (0.46) ATRPDPK1CBFB
SCHEMBL560241 0.80 ATR (0.68) ATRPDPK1CDK1CDK2MKNK1
SCHEMBL4046492 0.80 PDE10A (0.40) ATRCBFB
SCHEMBL14969289 0.77 NPC1 (0.50) METAP2METAP1CBFB
SCHEMBL560162 0.76 ATR (0.60) ATRMETAP2METAP1CBFB
SCHEMBL1170649 0.75 KDM4E (0.52) METAP2METAP1CBFB
SCHEMBL30612244 0.75 SMN1; SMN2 (0.65) METAP2METAP1CBFB
SCHEMBL26922233 0.75 SMN1; SMN2 (0.65) METAP2METAP1CBFB

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