SCHEMBL7925159

SCHEMBL7925159

Nc1nccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.59
MTOR P42345 12/20 0.59
PIK3R1 P27986 9/20 0.59
PIK3CD O00329 3/20 0.57
PIK3CB P42338 3/20 0.57
CDK1 P06493 1/20 0.54
CDK2 P24941 1/20 0.54
RICTOR Q6R327 1/20 0.53
RPTOR Q8N122 1/20 0.53
MAPKAP1 Q9BPZ7 1/20 0.53
MLST8 Q9BVC4 1/20 0.53
PIK3CG P48736 2/20 0.52
PIK3C2B O00750 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL29564396 0.92 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL31147112 0.92 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309279 0.86 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309314 0.82 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1311065 0.81 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309070 0.81 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1311820 0.80 LMNA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4972261 0.80 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1310118 0.79 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309970 0.79 KDM4E (0.54) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 WO disclosed