SCHEMBL28497461

SCHEMBL28497461

C[C@H]1COCCN1c1nc(N)ncc1-c1ccncn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 17/20 0.49
▸ MTOR P42345 15/20 0.49
▸ RPTOR Q8N122 7/20 0.49
▸ MLST8 Q9BVC4 7/20 0.49
▸ PIK3R1 P27986 6/20 0.49
▸ RICTOR Q6R327 5/20 0.49
▸ MAPKAP1 Q9BPZ7 5/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PIK3C3 Q8NEB9 1/20 0.49
▸ CHEK1 O14757 1/20 0.46
▸ ATR Q13535 1/20 0.46
▸ PDCD1 Q15116 1/20 0.46
▸ ATRIP Q8WXE1 1/20 0.46
▸ CD274 Q9NZQ7 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
SCHEMBL21658972 0.74 MAP3K12 (0.48) PIK3CAMTOR
SCHEMBL29947221 0.72 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3C3CHEK1
SCHEMBL28958536 0.72 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3C3CHEK1
SCHEMBL30745619 0.71 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3C3CHEK1
SCHEMBL695787 0.69 GSK3B (0.70) —
SCHEMBL9943990 0.69 GSK3B (0.70) —
SCHEMBL8232098 0.69 GSK3B (0.70) —
SCHEMBL24398697 0.68 MTOR (0.92) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL19616562 0.68 MTOR (0.90) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL17748652 0.68 MTOR (0.92) PIK3CAMTORRPTORMLST8PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN claimed
CN-107108644-B Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines 皮奎尔治疗公司 2021-01-05 — — CN claimed
CN-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN disclosed
CN-109475560-B Treatment of neurological disorders 巴塞尔大学 2023-05-02 — — CN disclosed
CN-107108644-B Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines 皮奎尔治疗公司 2021-01-05 — — CN disclosed
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