SCHEMBL29009711

SCHEMBL29009711

Nc1cc(C(F)(F)F)c(-c2nc(C3CNCCO3)nc(N3CCNCC3)n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.59
▸ PIK3CA P42336 18/20 0.59
▸ PIK3CD O00329 2/20 0.59
▸ PIK3C2B O00750 2/20 0.59
▸ PIK3R1 P27986 2/20 0.59
▸ PIK3CB P42338 2/20 0.59
▸ PIK3CG P48736 2/20 0.59
▸ PRKDC P78527 2/20 0.59
▸ PIK3C3 Q8NEB9 2/20 0.59
▸ PI4KB Q9UBF8 2/20 0.59
▸ RICTOR Q6R327 1/20 0.59
▸ RPTOR Q8N122 1/20 0.59
▸ MAPKAP1 Q9BPZ7 1/20 0.59
▸ MLST8 Q9BVC4 1/20 0.59
▸ AKR1C3 P42330 1/20 0.46
▸ PIK3R5 Q8WYR1 1/20 0.46

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
SCHEMBL29009702 0.84 PIK3CA (0.74) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL29009704 0.84 PIK3CA (0.59) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL1309194 0.82 PIK3CA (0.87) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL29183999 0.80 PIK3CA (0.51) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
SCHEMBL29183810 0.80 PIK3CA (0.54) MTORPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL28720167 0.79 PIK3CA (0.75) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
Bimiralisib SCHEMBL1309049 0.75 PIK3CA (1.00) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
Bimiralisib SCHEMBL29352266 0.75 PIK3CA (1.00) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
Bimiralisib SCHEMBL29644978 0.74 PIK3CA (0.98) MTORPIK3CAPIK3CDPIK3C2BPIK3R1
Bimiralisib SCHEMBL18428577 0.74 PIK3CA (0.98) MTORPIK3CAPIK3CDPIK3C2BPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777042-A Triazine hydroxamic acid derivative and preparation method and application thereof 长沙医学院 2024-03-29 — — CN disclosed
CN-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN disclosed
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