SCHEMBL18117902

SCHEMBL18117902

C[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCCCCC3)n2)[C@H](C)CO1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.67
▸ PIK3CA P42336 19/20 0.67
▸ RPTOR Q8N122 5/20 0.59
▸ MLST8 Q9BVC4 5/20 0.59
▸ RICTOR Q6R327 4/20 0.59
▸ MAPKAP1 Q9BPZ7 4/20 0.59
▸ PIK3R1 P27986 3/20 0.59
▸ PIK3CG P48736 2/20 0.59
▸ PIK3CD O00329 1/20 0.59
▸ PIK3C2B O00750 1/20 0.59
▸ PIK3CB P42338 1/20 0.59
▸ PRKDC P78527 1/20 0.59
▸ PIK3C3 Q8NEB9 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59

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
SCHEMBL18117974 1.00 MTOR (0.67) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18117965 1.00 MTOR (0.67) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL1309306 0.92 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL1309264 0.92 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL1310025 0.92 MTOR (0.80) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18117884 0.86 MTOR (0.89) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18117890 0.86 MTOR (0.89) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18117921 0.86 MTOR (0.69) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18117920 0.86 MTOR (0.69) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL18117944 0.84 MTOR (0.69) MTORPIK3CARPTORMLST8RICTOR

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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