SCHEMBL4048129

SCHEMBL4048129

COCCn1c(-c2nc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2N)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.64
TNK2 Q07912 1/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48

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
SCHEMBL3950222 0.88 EGFR (0.81) EGFRFGFR1FGFR2FGFR3
SCHEMBL3948199 0.86 EGFR (0.68) EGFRFGFR1FGFR2FGFR3
SCHEMBL4048149 0.80 EGFR (0.56) EGFRTNK2
SCHEMBL2387612 0.80 MET (0.62) EGFRTNK2FGFR1FGFR2FGFR3
SCHEMBL3950078 0.80 EGFR (0.72) EGFRTNK2FGFR1FGFR2FGFR3
SCHEMBL3949889 0.79 EGFR (1.00) EGFRFGFR1FGFR2FGFR3
SCHEMBL2385241 0.78 FGFR1 (0.57) TNK2FGFR1FGFR2FGFR3
SCHEMBL24288969 0.78 FGFR1 (0.63) TNK2FGFR1FGFR2FGFR3
SCHEMBL4042780 0.77 EGFR (0.68) EGFRFGFR1FGFR2FGFR3
SCHEMBL4047011 0.76 EGFR (0.56) EGFRTNK2FGFR1FGFR2FGFR3

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