SCHEMBL12811798

SCHEMBL12811798

CNC(=O)c1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ HCRTR1 O43613 8/20 0.45
▸ HCRTR2 O43614 8/20 0.45
▸ HCAR2 Q8TDS4 5/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PIK3CA P42336 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PTPN11 Q06124 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
SCHEMBL12811951 0.90 HPGD (0.45) HCRTR1HCRTR2HCAR2PIK3CAHPGD
SCHEMBL12812446 0.88 HPGD (0.49) ALOX5APHCRTR1HCRTR2HCAR2PIK3CA
SCHEMBL1442702 0.85 CNR2 (0.46) ALOX5APHCRTR1HCRTR2HCAR2SMN1; SMN2
SCHEMBL1442934 0.83 PIK3CA (0.49) HCAR2PIK3CAHPGDPTPN11
SCHEMBL1442549 0.83 PIK3CA (0.47) MAPTPIK3CAHPGD
SCHEMBL1442119 0.82 CDK8 (0.47) MAPTSMN1; SMN2PIK3CAHPGD
SCHEMBL1441972 0.81 HRH3 (0.47) HCAR2MAPTSMN1; SMN2PIK3CAHPGD
SCHEMBL1442797 0.80 HPGD (0.50) HCAR2MAPTSMN1; SMN2PIK3CAHPGD
SCHEMBL1442436 0.80 KDM4E (0.48) MAPTSMN1; SMN2PIK3CAHPGDPTPN11
SCHEMBL1442484 0.79 HCRTR1 (0.43) HCRTR1HCRTR2HCAR2MAPTPIK3CA

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
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO disclosed
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