SCHEMBL27995153

SCHEMBL27995153

C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(N2CCCCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.70
▸ MTOR P42345 13/20 0.70
▸ PIK3R1 P27986 7/20 0.67
▸ PIK3CG P48736 3/20 0.67
▸ PIK3CD O00329 2/20 0.67
▸ PIK3CB P42338 2/20 0.67
▸ PIK3R5 Q8WYR1 2/20 0.67
▸ PIK3C2B O00750 1/20 0.67
▸ AKR1C3 P42330 1/20 0.67
▸ PRKDC P78527 1/20 0.67
▸ PIK3C3 Q8NEB9 1/20 0.67
▸ PI4KB Q9UBF8 1/20 0.67
▸ RICTOR Q6R327 1/20 0.57
▸ RPTOR Q8N122 1/20 0.57
▸ MAPKAP1 Q9BPZ7 1/20 0.57
▸ MLST8 Q9BVC4 1/20 0.57

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
SCHEMBL19460984 0.98 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL19460985 0.98 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL19461013 0.98 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL27995014 0.95 PIK3CA (0.75) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15805504 0.95 PIK3CA (0.75) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15805511 0.93 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15805513 0.93 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15805510 0.93 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15805520 0.93 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15805509 0.93 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CGPIK3CD

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
CN-104245693-A Pyrimidine derivative and pharmaceutically acceptable salt thereof, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2014-12-24 — — CN disclosed
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