SCHEMBL4047639

SCHEMBL4047639

Nc1ncc(-c2cnn(CC3CCCNC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
BMPR1A P36894 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
ATR Q13535 14/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
MET P08581 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
SYK P43405 1/20 0.37
AURKB Q96GD4 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
SCHEMBL4041097 0.91 EGFR (0.47) EGFRBMPR1AACVRL1ACVR1ATR
SCHEMBL4045589 0.85 EGFR (0.56) EGFRBMPR1AACVRL1ACVR1ATR
SCHEMBL4042032 0.79 EGFR (0.62) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4049196 0.77 ATR (0.51) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4044782 0.75 EGFR (0.61) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4044231 0.74 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4049905 0.74 EGFR (0.64) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4405948 0.72 BMPR1A (0.42) BMPR1AACVRL1ACVR1ATRFGFR1
SCHEMBL4047605 0.71 EGFR (0.62) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043371 0.70 ATR (0.78) 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