SCHEMBL19089511

SCHEMBL19089511

C=CC(=O)Nc1cc(Nc2cc(Nc3ccc(F)c(C)c3)ncn2)c(OC)cc1N1CCN(C(C)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.51
FGFR1 P11362 2/20 0.48
CTSC P53634 1/20 0.47
FGFR4 P22455 1/20 0.45
ERBB3 P21860 1/20 0.45
DUS2 Q9NX74 1/20 0.45

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
SCHEMBL35210275 0.92 EGFR (0.55) EGFRFGFR1ERBB3DUS2
SCHEMBL19089518 0.92 EGFR (0.55) EGFRFGFR1ERBB3DUS2
SCHEMBL35210302 0.84 EGFR (0.58) EGFRERBB3DUS2
SCHEMBL19089514 0.84 EGFR (0.58) EGFRERBB3DUS2
SCHEMBL35210310 0.83 EGFR (0.57) EGFRERBB3DUS2
SCHEMBL20548791 0.83 EGFR (0.57) EGFRERBB3DUS2
SCHEMBL20655477 0.81 EGFR (0.57) EGFRERBB3DUS2
SCHEMBL19089507 0.80 EGFR (0.52) EGFRFGFR1FGFR4ERBB3DUS2
SCHEMBL35210297 0.80 EGFR (0.52) EGFRFGFR1FGFR4ERBB3DUS2
SCHEMBL19089508 0.78 EGFR (0.58) EGFRCTSCERBB3DUS2

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-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 WO disclosed