SCHEMBL27865719

SCHEMBL27865719

Cc1ccc(C(N)=O)c(C)c1-c1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ CDK6 Q00534 3/20 0.41
▸ LCK P06239 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FGFR2 P21802 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ ATR Q13535 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27865671 0.93 PKMYT1 (0.44) PKMYT1HPGDPIK3CAPIK3CDPIK3CB
SCHEMBL28799905 0.90 CDC7 (0.43) HPGDPIK3CAKDM4EALDH1A1GAA
SCHEMBL27865706 0.88 HPGD (0.43) PKMYT1HPGDPIK3CAPIK3CDPIK3CB
SCHEMBL27882150 0.83 HPGD (0.41) HPGDPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL27865694 0.83 HPGD (0.41) HPGDPIK3CAKDM4EALDH1A1GAA
SCHEMBL1444098 0.80 HPGD (0.53) HPGDPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL27865711 0.78 HPGD (0.43) HPGDPIK3CAALDH1A1MKNK1MKNK2
SCHEMBL3091537 0.78 PIK3CA (0.55) HPGDPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL1443292 0.77 CNR2 (0.53) HPGDPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL1442345 0.77 LRRK2 (0.51) HPGDPIK3CAPIK3CDPIK3CBMTOR

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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
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