SCHEMBL38656409

SCHEMBL38656409

O=C1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)nc(N2CCC(F)(F)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.39
▸ MAP3K12 Q12852 6/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GBA1 P04062 2/20 0.31
▸ ACACB O00763 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30

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
SCHEMBL38657558 0.79 PIK3CA (0.43) DPP4MAP3K12
SCHEMBL38656894 0.79 CNR2 (0.40) DPP4MAP3K12HRH3CNR2GBA1
SCHEMBL38656893 0.79 CNR2 (0.40) DPP4MAP3K12HRH3CNR2GBA1
SCHEMBL17581373 0.79 CNR2 (0.41) DPP4MAP3K12HRH3CNR2GBA1
SCHEMBL17581297 0.70 MAP3K12 (0.35) DPP4MAP3K12CNR2ACACB
SCHEMBL29880240 0.61 PIK3CA (0.52) —
SCHEMBL1408578 0.61 PIK3CA (0.52) —
SCHEMBL17755484 0.61 MTOR (0.42) —
SCHEMBL38656269 0.61 MTOR (0.42) —
SCHEMBL18435068 0.60 DPP4 (0.56) DPP4MAP3K12HRH3ACACBDPP8

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-122010857-A Selective mTOR inhibitor and preparation method and application thereof 九江学院 2026-05-12 — — CN disclosed
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