SCHEMBL18117918

SCHEMBL18117918

C[C@@H]1CN(c2nc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCCCCC3)n2)CCO1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.68
▸ MTOR P42345 16/20 0.68
▸ PIK3CB P42338 7/20 0.68
▸ PIK3R1 P27986 3/20 0.68
▸ PIK3CD O00329 2/20 0.68
▸ PIK3C2B O00750 2/20 0.68
▸ PIK3CG P48736 2/20 0.68
▸ PIK3C3 Q8NEB9 2/20 0.68
▸ PI4KB Q9UBF8 2/20 0.68
▸ RPTOR Q8N122 6/20 0.47
▸ MLST8 Q9BVC4 6/20 0.47
▸ RICTOR Q6R327 5/20 0.47
▸ MAPKAP1 Q9BPZ7 5/20 0.47
▸ PRKDC P78527 1/20 0.45

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
SCHEMBL1311448 0.93 PIK3CA (0.80) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL1311452 0.93 PIK3CA (0.80) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL18117970 0.89 PIK3CA (0.65) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL18117971 0.89 PIK3CA (0.65) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL18117888 0.86 PIK3CA (0.91) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL1311344 0.84 PIK3CA (0.81) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL1311827 0.84 PIK3CA (0.81) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL18117921 0.83 MTOR (0.69) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL18117920 0.83 MTOR (0.69) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL29879988 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3R1PIK3CD

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
EP-2364302-B1 TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIV BASEL (CH) 2016-10-05 — — EP disclosed
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