SCHEMBL1386877

SCHEMBL1386877

COC(Cc1ccc2c(N)ncnc2c1)N1CCN(C(=O)c2cccc(C(=N)N)c2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
F10 P00742 10/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
PLG P00747 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPN P05981 1/20 0.33

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
SCHEMBL27591331 0.91 KCNH2 (0.37) KCNH2F10MEN1ALDH1A1KMT2A
SCHEMBL1385984 0.89 F2 (0.39) F10PLGHPN
SCHEMBL1385980 0.89 F2 (0.39) F10PLGHPN
SCHEMBL4397537 0.88 F10 (0.32) F10
SCHEMBL4397533 0.88 F10 (0.32) F10
SCHEMBL1386139 0.86 F10 (0.45) F10HPN
SCHEMBL4387303 0.84 F10 (0.39) F10
SCHEMBL4387290 0.84 F10 (0.39) F10
SCHEMBL1386872 0.79 F10 (0.40) F10PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28941456 0.79 APP (0.34) F10MEN1KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed