SCHEMBL14494927

SCHEMBL14494927

CCN(C)c1cccc(Oc2ccc(Nc3ncnc4ccn(CCNC(=O)CS(C)(=O)=O)c34)cc2Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.82
ERBB2 P04626 19/20 0.82
ERBB4 Q15303 9/20 0.65
ERBB3 P21860 8/20 0.65
LCK P06239 2/20 0.62
LYN P07948 2/20 0.62
MET P08581 2/20 0.62
CSK P41240 2/20 0.62
MAP2K1 Q02750 2/20 0.62
AURKB Q96GD4 2/20 0.62
BMPR1B O00238 1/20 0.62
EPHB6 O15197 1/20 0.62
MAP2K5 Q13163 1/20 0.62
NLK Q9UBE8 1/20 0.62

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
SCHEMBL3504487 0.94 EGFR (0.82) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3505768 0.94 EGFR (0.84) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL986142 0.90 EGFR (1.00) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506562 0.89 EGFR (0.88) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506238 0.89 EGFR (0.86) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3508433 0.88 EGFR (0.84) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3507996 0.87 EGFR (0.83) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL3506832 0.87 EGFR (0.83) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL986159 0.87 EGFR (1.00) EGFRERBB2ERBB4ERBB3LCK
SCHEMBL984939 0.87 EGFR (0.85) EGFRERBB2ERBB4ERBB3LCK

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-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed