SCHEMBL12943751

SCHEMBL12943751

Cc1nc(NC(=O)N2C=NCC2)sc1-c1ccnc(C2(C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.60
▸ PIK3CD O00329 8/20 0.50
▸ PIK3CB P42338 7/20 0.50
▸ PIK3CG P48736 7/20 0.50
▸ GAK O14976 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL942547 0.82 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL944398 0.80 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL13782176 0.80 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12943436 0.79 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL11938366 0.78 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL12961439 0.78 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL13781900 0.78 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL11938367 0.76 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL13781913 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL13806165 0.74 PIK3CA (0.79) PIK3CAPIK3CB

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-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 — — WO disclosed
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