SCHEMBL31236965

SCHEMBL31236965

COc1cc2c(cc1-c1cncc(C#N)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)CCO2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.36
▸ ABL1 P00519 1/20 0.32
▸ PIK3CD O00329 3/20 0.32
▸ PIK3R2 O00459 3/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CB P42338 3/20 0.32
▸ PIK3CG P48736 3/20 0.32
▸ PIK3R5 Q8WYR1 3/20 0.32
▸ PIK3R3 Q92569 3/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ CYP11B1 P15538 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
SCHEMBL17381581 0.95 GRM5 (0.36) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL17381592 0.91 GRM5 (0.36) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL27119422 0.91 GRM5 (0.37) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL30759686 0.91 GRM5 (0.37) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL17381612 0.90 GRM5 (0.34) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL27118811 0.90 GRM5 (0.38) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL30759535 0.90 GRM5 (0.38) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL31236958 0.89 GRM5 (0.33) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17382243 0.88 PIK3CD (0.35) GRM5ABL1PIK3CDPIK3R2PIK3CA
SCHEMBL20988749 0.86 GRM5 (0.35) GRM5ABL1PIK3CDPIK3R2PIK3CA

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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