SCHEMBL18657455

SCHEMBL18657455

C=CC(=O)Nc1cc(Nc2ncc(C(F)(F)F)c(SC3CN(C)C3)n2)c(OC)cc1N1CCC(N(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63

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
SCHEMBL18657756 0.93 EGFR (0.59) EGFR
SCHEMBL18563153 0.92 EGFR (0.59) EGFR
SCHEMBL17196901 0.92 EGFR (0.62) EGFR
SCHEMBL18657443 0.86 EGFR (0.68) EGFR
SCHEMBL17196835 0.85 EGFR (0.66) EGFR
SCHEMBL17196672 0.85 EGFR (0.66) EGFR
SCHEMBL18657531 0.85 EGFR (0.60) EGFR
SCHEMBL17196677 0.85 EGFR (0.68) EGFR
SCHEMBL17196867 0.84 EGFR (0.65) EGFR
SCHEMBL17196783 0.84 EGFR (0.66) 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
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed