SCHEMBL29539087

SCHEMBL29539087

COc1cc2c(cc1-c1cncc(C#N)c1)-c1c(c(C(=O)N(C)C(C)(C)C#N)nn1-c1cc(F)cc(F)c1)CO2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.31
▸ ABL1 P00519 4/20 0.31
▸ RIPK1 Q13546 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL17381955 1.00 GPR119 (0.31) GPR119ABL1RIPK1CYP11B2
SCHEMBL23072074 0.95 GPR119 (0.32) GPR119ABL1RIPK1CYP11B2
SCHEMBL19326927 0.92 — —
SCHEMBL17382363 0.92 NR1H4 (0.33) —
SCHEMBL17382346 0.91 ABL1 (0.33) GPR119ABL1RIPK1
SCHEMBL17381606 0.88 NR1H4 (0.32) —
SCHEMBL17381580 0.87 NR1H4 (0.34) GPR119ABL1RIPK1
SCHEMBL29538837 0.86 NR1H4 (0.32) —
SCHEMBL17382350 0.86 NR1H4 (0.32) —
SCHEMBL17382352 0.85 CCNA2 (0.30) —

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-106573937-B Pyrazole compounds as FSHR modulators and uses thereof 阿瑞斯贸易股份公司 2022-02-11 — — CN disclosed
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