SCHEMBL4045979

SCHEMBL4045979

Cc1cccc2[nH]c(-c3nc(-c4cnn(C5CCN(C)CC5)c4)cnc3N)nc12

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.76
ATR Q13535 8/20 0.55
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR3 P22607 2/20 0.51

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
SCHEMBL4039338 0.90 EGFR (0.71) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4040666 0.86 EGFR (1.00) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4041919 0.82 EGFR (0.79) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4036451 0.81 EGFR (0.62) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4041430 0.81 EGFR (0.80) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4044231 0.80 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045492 0.80 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045787 0.80 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043377 0.80 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL3952099 0.79 EGFR (0.59) EGFRATRFGFR1FGFR2FGFR3

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