SCHEMBL4045787

SCHEMBL4045787

CN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccc(F)cc5[nH]4)n3)cn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.78
MET P08581 2/20 0.54
NTRK1 P04629 1/20 0.52
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR3 P22607 2/20 0.51
ATR Q13535 6/20 0.50

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
SCHEMBL4044231 0.93 EGFR (0.78) EGFRMETNTRK1FGFR1FGFR2
SCHEMBL4047605 0.90 EGFR (0.62) EGFRMETNTRK1FGFR1FGFR2
SCHEMBL4040666 0.88 EGFR (1.00) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4045565 0.85 EGFR (0.58) EGFRMETFGFR1FGFR2FGFR3
SCHEMBL4041919 0.85 EGFR (0.79) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4045492 0.84 EGFR (0.78) EGFRMETFGFR1FGFR2FGFR3
SCHEMBL4043377 0.84 EGFR (0.78) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4041430 0.84 EGFR (0.80) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4049905 0.84 EGFR (0.64) EGFRMETNTRK1FGFR1FGFR2
SCHEMBL4045605 0.84 EGFR (0.74) EGFRMETNTRK1FGFR1FGFR2

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