SCHEMBL27865681

SCHEMBL27865681

COc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ PIK3C3 Q8NEB9 1/20 0.49
▸ GAK O14976 6/20 0.48
▸ CDK6 Q00534 3/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ KIT P10721 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1442664 0.91 PIK3CD (0.49) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1443046 0.90 GAK (0.59) GAKERN1KITPDE10ACSF1R
SCHEMBL27865822 0.89 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3CGGAK
SCHEMBL27882034 0.87 PIK3CD (0.49) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12811942 0.86 PIK3CA (0.54) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27882090 0.85 MAP4K1 (0.54) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3091537 0.84 PIK3CA (0.55) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27882073 0.84 AR (0.52) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1442476 0.84 TNIK (0.54) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1442692 0.84 ALDH1A1 (0.51) MTORPIK3CDPIK3CAPIK3CBPIK3CG

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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