SCHEMBL20548969

SCHEMBL20548969

C=CC(=O)Nc1cc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c(OC)cc1N(C)CC(C)(C)N

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.54
ERBB3 P21860 1/20 0.54
DUS2 Q9NX74 1/20 0.54
ERBB2 P04626 4/20 0.49
KDR P35968 1/20 0.44
EML4 Q9HC35 3/20 0.44
ALK Q9UM73 3/20 0.44
JAK3 P52333 1/20 0.43
ERBB4 Q15303 1/20 0.43
FGFR4 P22455 1/20 0.43

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
SCHEMBL20548937 0.93 EGFR (0.49) EGFRERBB3DUS2ERBB2EML4
SCHEMBL20548845 0.91 EGFR (0.46) EGFRERBB3DUS2EML4ALK
SCHEMBL20548909 0.90 EGFR (0.47) EGFRERBB3DUS2EML4ALK
SCHEMBL20548863 0.90 EGFR (0.46) EGFRERBB3DUS2EML4ALK
SCHEMBL35210335 0.89 EGFR (0.58) EGFRERBB3DUS2EML4ALK
SCHEMBL20548919 0.89 EGFR (0.58) EGFRERBB3DUS2EML4ALK
SCHEMBL20549061 0.87 EGFR (0.48) EGFRERBB2KDREML4ALK
SCHEMBL20548786 0.86 EGFR (0.48) EGFRERBB2KDREML4ALK
SCHEMBL20548849 0.86 EGFR (0.53) EGFREML4ALK
SCHEMBL20548788 0.84 EGFR (0.45) EGFRERBB3EML4ALK

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-3398939-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2018-11-07 EP disclosed