SCHEMBL19089566

SCHEMBL19089566

C=CC(=C)Nc1cc(Nc2cc(Nc3cc(F)cc(C(F)(F)F)c3)ncn2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
ALK Q9UM73 2/20 0.43
ERBB3 P21860 1/20 0.43
EML4 Q9HC35 1/20 0.42

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
SCHEMBL35210280 0.92 EGFR (0.61) EGFRALKEML4
SCHEMBL20548739 0.92 EGFR (0.61) EGFRALKEML4
SCHEMBL20548764 0.84 EGFR (0.61) EGFRALKEML4
SCHEMBL35210263 0.84 EGFR (0.61) EGFRALKEML4
SCHEMBL19089565 0.83 EGFR (0.48) EGFRALKEML4
SCHEMBL20548738 0.82 EGFR (0.49) EGFRALKEML4
SCHEMBL20656035 0.81 EGFR (0.48) EGFRALKERBB3
SCHEMBL19089677 0.81 EGFR (0.63) EGFRALKEML4
SCHEMBL19089672 0.81 EGFR (0.57) EGFRALKEML4
SCHEMBL35210283 0.81 EGFR (0.57) EGFRALKEML4

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