SCHEMBL19089340

SCHEMBL19089340

C=CC(=O)Nc1cc(Nc2cc(Nc3ccc(C(F)(F)F)c(Cl)c3)ncn2)c(OC/C=C\C(=O)Nc2cc(Nc3cc(Nc4ccc(OC(F)(F)F)c(Cl)c4)ncn3)c(OC)cc2N(C)CCN(C)C)cc1N(C)CCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
IGF1R P08069 1/20 0.45
KCNH2 Q12809 1/20 0.45
ERBB3 P21860 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
SCHEMBL35210318 0.91 EGFR (0.59) EGFRIGF1RKCNH2ERBB3
SCHEMBL20548752 0.91 EGFR (0.59) EGFRIGF1RKCNH2ERBB3
SCHEMBL20548847 0.90 EGFR (0.58) EGFR
SCHEMBL35210287 0.90 EGFR (0.58) EGFR
SCHEMBL19089564 0.85 EGFR (0.59) EGFR
SCHEMBL20548864 0.84 EGFR (0.58) EGFR
SCHEMBL35210291 0.84 EGFR (0.58) EGFR
SCHEMBL20655511 0.84 EGFR (0.60) EGFR
SCHEMBL19089576 0.84 EGFR (0.60) EGFR
SCHEMBL35210334 0.84 EGFR (0.60) EGFR

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