SCHEMBL4048149

SCHEMBL4048149

CCn1c(-c2nc(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cnc2N)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.56
TNK2 Q07912 1/20 0.41
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL13942249 0.85 EGFR (0.74) EGFR
SCHEMBL4046378 0.84 EGFR (0.60) EGFRMET
SCHEMBL2388528 0.82 AXL (0.54) EGFRTNK2MET
SCHEMBL4048129 0.80 EGFR (0.64) EGFRTNK2
SCHEMBL22781402 0.79 TNK2 (0.42) EGFRTNK2KDRPIK3CAMET
SCHEMBL21266833 0.79 TNK2 (0.42) EGFRTNK2KDRPIK3CAMET
SCHEMBL3949724 0.78 TNK2 (0.43) EGFRTNK2PIK3CAMET
SCHEMBL3946717 0.77 IRAK4 (0.43) EGFRTNK2KDRPIK3CA
SCHEMBL3952265 0.77 IRAK4 (0.48) EGFRTNK2
SCHEMBL2799660 0.75 MET (0.41) TNK2KDRPIK3CAMET

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