SCHEMBL31236967

SCHEMBL31236967

COc1cc2c(cc1-c1cncc(C#N)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)CCO2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ TGFBR1 P36897 2/20 0.31
▸ ACVR1 Q04771 2/20 0.31
▸ SSTR2 P30874 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL17381580 0.93 NR1H4 (0.34) ABL1GPR119SSTR2GRM5
SCHEMBL30681665 0.89 NR1H4 (0.34) ABL1GPR119SSTR2GRM5
SCHEMBL17381571 0.89 NR1H4 (0.34) ABL1GPR119SSTR2GRM5
SCHEMBL31236971 0.88 MKNK1 (0.31) TGFBR1ACVR1
SCHEMBL27119775 0.88 PDE7A (0.36) ABL1GPR119SSTR2GRM5CYP11B1
SCHEMBL30759597 0.88 PDE7A (0.36) ABL1GPR119SSTR2GRM5CYP11B1
SCHEMBL27118975 0.87 PDE7A (0.35) ABL1GPR119SSTR2GRM5CYP11B1
SCHEMBL30759484 0.87 PDE7A (0.35) ABL1GPR119SSTR2GRM5CYP11B1
SCHEMBL23072074 0.85 GPR119 (0.32) ABL1GPR119CYP11B2
SCHEMBL17381595 0.85 PTGDR2 (0.35) GRM5

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-2024263803-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-12-26 — — WO disclosed
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