SCHEMBL25329782

SCHEMBL25329782

N#Cc1c(Cl)nc2c(F)c(Cl)ncc2c1N1C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.31
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ PIK3CD O00329 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
SCHEMBL25331128 0.86 GPR119 (0.42) CHRM1CHRM3
SCHEMBL30493741 0.86 GPR119 (0.42) CHRM1CHRM3
SCHEMBL30260018 0.86 GPR119 (0.42) CHRM1CHRM3
SCHEMBL29654166 0.81 KRAS (0.33) PDE9A
SCHEMBL25385694 0.81 KRAS (0.33) PDE9A
SCHEMBL30260098 0.81 KRAS (0.38) —
SCHEMBL27158757 0.80 KRAS (0.34) —
SCHEMBL25331131 0.80 — —
SCHEMBL23043462 0.79 KRAS (0.35) —
SCHEMBL25254548 0.79 KRAS (0.35) —

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
WO-2023138583-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-27 — — WO disclosed
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