SCHEMBL19089568

SCHEMBL19089568

COc1ccc(Nc2cc(Nc3cc(N)c(N(C)CCN4CCCC4)cc3OC)ncn2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.43
AXL P30530 1/20 0.43
FGFR3 P22607 2/20 0.42
CYP3A4 P08684 1/20 0.42
EPHB4 P54760 3/20 0.42
EPHA2 P29317 2/20 0.42
KDR P35968 2/20 0.42
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
EGFR P00533 8/20 0.40
ERBB3 P21860 1/20 0.40
ERBB2 P04626 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
PIP4K2A P48426 1/20 0.40
BRAF P15056 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20655716 0.84 EGFR (0.56) EGFR
SCHEMBL19089633 0.81 EGFR (0.39) FGFR3CYP3A4EPHB4EGFRERBB3
SCHEMBL19089675 0.79 EGFR (0.49) INSREPHB4KDREGFRERBB3
SCHEMBL19089359 0.78 EGFR (0.36) FGFR3CYP3A4EPHB4EGFRERBB3
SCHEMBL19089361 0.78 EPHA2 (0.48) EPHB4EPHA2KDRDUSP3PTPN5
SCHEMBL19089627 0.78 EPHA2 (0.39) EPHB4EPHA2KDREGFRERBB3
SCHEMBL19089341 0.74 EGFR (0.41) EPHB4EGFRERBB3
SCHEMBL19089358 0.74 EGFR (0.39) EGFRERBB3
SCHEMBL19089356 0.74 EGFR (0.39) EGFRERBB3
SCHEMBL19089357 0.73 EGFR (0.42) FGFR3CYP3A4EGFRERBB3

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