SCHEMBL12812433

SCHEMBL12812433

NC(=O)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1I

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ CDC7 O00311 2/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ HCAR2 Q8TDS4 3/20 0.42
▸ PIK3CB P42338 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ CSF1R P07333 1/20 0.38
▸ HTT P42858 1/20 0.36

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
SCHEMBL1442584 0.84 HPGD (0.58) HPGDPIK3CAHCAR2MKNK1MKNK2
SCHEMBL27865711 0.83 HPGD (0.43) HPGDPIK3CACDC7CDK9ROCK2
SCHEMBL28799905 0.82 CDC7 (0.43) HPGDPIK3CACDC7CDK9ROCK2
SCHEMBL27865694 0.81 HPGD (0.41) HPGDPIK3CACDC7CDK9ROCK2
SCHEMBL1443528 0.81 HPGD (0.50) HPGDPIK3CACDK9HCAR2
SCHEMBL28799885 0.79 HPGD (0.40) HPGDPIK3CACDC7CDK9ROCK2
SCHEMBL1444121 0.77 PIK3CA (0.48) HPGDPIK3CAHCAR2PIK3CBMTOR
SCHEMBL1443341 0.77 PIK3CA (0.47) HPGDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL1444076 0.76 HPGD (0.59) HPGD
SCHEMBL10179643 0.76 HPGD (0.59) HPGD

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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