SCHEMBL19089345

SCHEMBL19089345

COc1cc(Nc2cc(Nc3cc(N)c(N(C)CC(=O)N4CCN(C)CC4)cc3OC)ncn2)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
SRC P12931 2/20 0.39
FGFR1 P11362 2/20 0.38
FGFR3 P22607 8/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHEK1 O14757 1/20 0.35
ERBB2 P04626 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL20549034 0.86 FGFR1 (0.48) FGFR1EGFR
SCHEMBL35210276 0.86 FGFR1 (0.48) FGFR1EGFR
SCHEMBL19089339 0.71 KDR (0.46) SRCFGFR1FGFR3CYP3A4EGFR
SCHEMBL35210268 0.71 EGFR (0.60) FGFR1EGFR
SCHEMBL19089330 0.71 EGFR (0.60) FGFR1EGFR
SCHEMBL19089335 0.70 SRC (0.42) SRCFGFR1GAAEGFR
SCHEMBL19089568 0.70 INSR (0.43) DUSP3PTPN11FGFR3CYP3A4EGFR
SCHEMBL19089338 0.69 SRC (0.53) SRCFGFR1EGFRERBB2
SCHEMBL19089420 0.68 FGFR1 (0.52) SRCFGFR1EGFRERBB2
SCHEMBL35210289 0.68 FGFR1 (0.52) SRCFGFR1EGFRERBB2

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