SCHEMBL1442373

SCHEMBL1442373

CS(=O)(=O)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.N#Cc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1F.O=C(c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ KDM1A O60341 3/20 0.45
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ LRRK2 Q5S007 3/20 0.43
▸ EGLN1 Q9GZT9 2/20 0.41
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PDE4B Q07343 1/20 0.37

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
SCHEMBL1442106 0.87 CDK6 (0.53) HPGDKDM1ACYP11B1CYP11B2CDK6
SCHEMBL12812039 0.80 HPGD (0.67) HPGDCDK6
SCHEMBL1443171 0.78 MTOR (0.53) LRRK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL12812062 0.78 PIK3CA (0.52) LRRK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL1441709 0.77 HPGD (0.70) HPGDCDK6
SCHEMBL13277399 0.77 CYP11B1 (0.52) CYP11B1CYP11B2CDK6PIK3CAPIK3CB
SCHEMBL13276453 0.77 CYP11B1 (0.63) KDM1ACYP11B1CYP11B2LRRK2PIK3CA
SCHEMBL1442624 0.76 HPGD (0.68) HPGDCDK6
SCHEMBL12812023 0.76 HPGD (0.62) HPGDCDK6PIK3CAPIK3CBMTOR
SCHEMBL1443923 0.74 HPGD (0.67) HPGDCDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO claimed
Send feedback