SCHEMBL19089321

SCHEMBL19089321

C=CC(=O)Nc1cc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)c(OC)cc1N1CCC(N(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
KCNH2 Q12809 2/20 0.62
IGF1R P08069 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
SCHEMBL19089333 0.96 EGFR (0.59) EGFRKCNH2IGF1R
SCHEMBL19089336 0.90 EGFR (0.76) EGFRKCNH2IGF1R
SCHEMBL19089550 0.89 EGFR (0.67) EGFRKCNH2IGF1R
SCHEMBL19089328 0.88 EGFR (0.65) EGFRKCNH2IGF1R
SCHEMBL19089549 0.88 EGFR (0.63) EGFRKCNH2IGF1R
SCHEMBL20549073 0.87 EGFR (0.68) EGFRKCNH2
SCHEMBL19089553 0.87 EGFR (0.72) EGFRKCNH2IGF1R
SCHEMBL19089554 0.86 EGFR (0.66) EGFRKCNH2IGF1R
SCHEMBL19089325 0.86 EGFR (0.65) EGFRKCNH2IGF1R
SCHEMBL19089547 0.84 EGFR (0.62) EGFRKCNH2IGF1R

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