SCHEMBL19089627

SCHEMBL19089627

COc1cc(N(C)CCN(C)C)c(N)cc1Nc1cc(Nc2ccc(OCC3CCOCC3)c(Cl)c2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 5/20 0.39
KDR P35968 5/20 0.39
EPHB4 P54760 3/20 0.39
ERBB2 P04626 3/20 0.39
EGFR P00533 10/20 0.36
IDH1 O75874 1/20 0.36
CNR2 P34972 1/20 0.35
PIP4K2A P48426 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
ERBB3 P21860 1/20 0.34

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
SCHEMBL19089361 0.88 EPHA2 (0.48) EPHA2KDREPHB4ERBB2EGFR
SCHEMBL19089359 0.85 EGFR (0.36) EPHB4ERBB2EGFRPIP4K2AERBB3
SCHEMBL35210260 0.85 EGFR (0.52) EGFR
SCHEMBL20548935 0.85 EGFR (0.52) EGFR
SCHEMBL20656019 0.85 EGFR (0.39) ERBB2EGFR
SCHEMBL19089633 0.84 EGFR (0.39) EPHB4ERBB2EGFRPIP4K2AERBB3
SCHEMBL19089675 0.82 EGFR (0.49) KDREPHB4ERBB2EGFRERBB3
SCHEMBL19089356 0.79 EGFR (0.39) EGFRIKBKETBK1ERBB3
SCHEMBL19089568 0.78 INSR (0.43) EPHA2KDREPHB4ERBB2EGFR
SCHEMBL19089341 0.77 EGFR (0.41) EPHB4EGFRERBB3

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