SCHEMBL3395004

SCHEMBL3395004

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OC1CCN(C(=O)C#CCN(C)C)C1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.74
ERBB2 P04626 5/20 0.66
RIPK2 O43353 1/20 0.62
RET P07949 1/20 0.62
MET P08581 1/20 0.62
EPHB2 P29323 1/20 0.62
TEC P42680 1/20 0.62
EPHB4 P54760 1/20 0.62
EPHA4 P54764 1/20 0.62
BTK Q06187 1/20 0.62
KCNH2 Q12809 1/20 0.62
TNK1 Q13470 1/20 0.62
RIPK3 Q9Y572 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
SCHEMBL3695002 1.00 EGFR (0.74) EGFRERBB2RIPK2RETMET
SCHEMBL3389177 0.91 EGFR (0.79) EGFRERBB2RIPK2RETMET
SCHEMBL3434895 0.89 EGFR (0.70) EGFRERBB2RIPK2RETMET
SCHEMBL9883243 0.88 EGFR (0.79) EGFRERBB2RIPK2RETMET
SCHEMBL9883167 0.87 EGFR (0.84) EGFRERBB2RIPK2RETMET
SCHEMBL3392070 0.87 EGFR (0.78) EGFRERBB2RIPK2RETMET
SCHEMBL3695941 0.85 EGFR (1.00) EGFRERBB2RIPK2RETMET
SCHEMBL3424083 0.85 EGFR (1.00) EGFRERBB2RIPK2RETMET
SCHEMBL3694750 0.85 EGFR (0.81) EGFRERBB2RIPK2RETMET
SCHEMBL3694745 0.85 EGFR (0.81) EGFRERBB2RIPK2RETMET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP claimed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO claimed