SCHEMBL4045565

SCHEMBL4045565

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccc(F)cc5[nH]4)n3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
ATR Q13535 13/20 0.51
FGFR1 P11362 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR4 P22455 2/20 0.49
FGFR3 P22607 2/20 0.49
KDR P35968 2/20 0.49
FLT3 P36888 2/20 0.49
MET P08581 1/20 0.46
TNK2 Q07912 1/20 0.46
CHEK2 O96017 2/20 0.45

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
SCHEMBL3950078 0.90 EGFR (0.72) EGFRATRFGFR1FGFR2FGFR4
SCHEMBL4045787 0.85 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL2383486 0.84 MET (0.58) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4047011 0.83 EGFR (0.56) EGFRATRFGFR1FGFR2FGFR4
SCHEMBL4047605 0.82 EGFR (0.62) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4046506 0.80 EGFR (0.53) EGFRATRFGFR1FGFR2FGFR4
SCHEMBL4044910 0.80 EGFR (0.53) EGFRATRFGFR1FGFR2FGFR4
SCHEMBL2681566 0.79 MET (0.58) EGFRMETTNK2
SCHEMBL4044231 0.79 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043236 0.78 EGFR (0.79) EGFRATRKDRMET

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