SCHEMBL27882148

SCHEMBL27882148

COc1cc(F)ccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.51
▸ MET P08581 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ PIK3CB P42338 4/20 0.41
▸ MTOR P42345 4/20 0.41
▸ PIK3CG P48736 4/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ GAK O14976 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL1442175 0.92 PIK3CA (0.50) PIK3CAMETPDGFRBPDGFRANPC1
SCHEMBL27882073 0.90 AR (0.52) PIK3CAMEN1KMT2APIK3CBMTOR
SCHEMBL1442139 0.89 ALDH1A1 (0.47) PIK3CAPDGFRBPDGFRANPC1RAB9A
SCHEMBL1441904 0.88 MAPT (0.49) PIK3CAMETNPC1RAB9AMAOB
SCHEMBL12812447 0.87 PTPN11 (0.46) PIK3CAMETNPC1RAB9AMEN1
SCHEMBL27865823 0.87 HRH4 (0.49) PIK3CAMETNPC1RAB9AMAOB
SCHEMBL1443038 0.85 PIK3CA (0.55) PIK3CANPC1RAB9AMEN1KMT2A
SCHEMBL12811790 0.84 PIK3CA (0.52) PIK3CAMETNPC1RAB9AMEN1
SCHEMBL1442090 0.84 PDGFRB (0.51) PIK3CAMETPDGFRBPDGFRANPC1
SCHEMBL27865822 0.84 PIK3CA (0.48) PIK3CAMETPDGFRBPDGFRANPC1

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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