SCHEMBL18117925

SCHEMBL18117925

C[C@@H]1COC[C@@H](C)N1c1nc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCCCCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.68
▸ PIK3CA P42336 18/20 0.68
▸ PIK3CB P42338 2/20 0.66
▸ PIK3CD O00329 1/20 0.66
▸ PIK3C2B O00750 1/20 0.66
▸ PIK3R1 P27986 1/20 0.66
▸ PIK3CG P48736 1/20 0.66
▸ PIK3C3 Q8NEB9 1/20 0.66
▸ PI4KB Q9UBF8 1/20 0.66
▸ RPTOR Q8N122 4/20 0.51
▸ MLST8 Q9BVC4 4/20 0.51
▸ RICTOR Q6R327 3/20 0.48
▸ MAPKAP1 Q9BPZ7 3/20 0.48

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
SCHEMBL18117967 1.00 MTOR (0.68) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL1311369 0.92 MTOR (0.80) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL1311809 0.92 MTOR (0.80) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL18117888 0.85 PIK3CA (0.91) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL18117970 0.83 PIK3CA (0.65) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL18117971 0.83 PIK3CA (0.65) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL18117916 0.83 MTOR (0.85) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL18117897 0.83 MTOR (0.85) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL20692989 0.81 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3C2B
SCHEMBL29879892 0.81 PIK3CA (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3C2B

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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