SCHEMBL19712426

SCHEMBL19712426

C/C=C/c1nc(N2CCOCC2)cc(C)c1OC(=O)NCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.46
▸ PIK3CA P42336 8/20 0.41
▸ PIK3CB P42338 4/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CG P48736 4/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.40
▸ AKT1 P31749 2/20 0.39
▸ STAT6 P42226 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL19712395 0.91 KMT2A (0.43) PIK3CAPIK3CBPIK3CDPIK3CGNAPEPLD
SCHEMBL19712405 0.85 SRC (0.47) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2129961 0.85 SRC (0.45) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2129958 0.85 SRC (0.45) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19712418 0.85 SRC (0.47) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19712388 0.85 SRC (0.47) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19712447 0.84 SRC (0.46) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19712423 0.84 SRC (0.46) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19712433 0.83 SRC (0.45) SRCPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL2133149 0.77 SRC (0.49) SRCPIK3CAPIK3CBPIK3CDPIK3CG

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-2630123-B1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2017-12-20 — — EP claimed
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