SCHEMBL27119422

SCHEMBL27119422

COc1cc2c(cc1-c1cncc(C#N)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.37
▸ PIK3CD O00329 5/20 0.32
▸ PIK3R2 O00459 5/20 0.32
▸ PIK3CA P42336 5/20 0.32
▸ PIK3CB P42338 5/20 0.32
▸ PIK3CG P48736 5/20 0.32
▸ PIK3R5 Q8WYR1 5/20 0.32
▸ PIK3R3 Q92569 5/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ IKBKB O14920 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
SCHEMBL30759686 1.00 GRM5 (0.37) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20988749 0.95 GRM5 (0.35) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759535 0.95 GRM5 (0.38) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27118811 0.95 GRM5 (0.38) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31236965 0.91 GRM5 (0.36) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL31758931 0.90 GRM5 (0.37) GRM5CYP11B2CYP11B1ABL1
SCHEMBL27152593 0.90 GRM5 (0.37) GRM5CYP11B2CYP11B1ABL1
SCHEMBL17381581 0.89 GRM5 (0.36) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759547 0.89 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27117594 0.89 GRM5 (0.34) GRM5PIK3CDPIK3R2PIK3CAPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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