SCHEMBL27119170

SCHEMBL27119170

COc1cc2c(cc1-c1cncc(C#N)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1ccsc1)C2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.33
▸ PIK3CD O00329 7/20 0.33
▸ PIK3R2 O00459 7/20 0.33
▸ PIK3CA P42336 7/20 0.33
▸ PIK3CB P42338 7/20 0.33
▸ PIK3CG P48736 7/20 0.33
▸ PIK3R5 Q8WYR1 7/20 0.33
▸ PIK3R3 Q92569 7/20 0.33
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CHEK1 O14757 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
SCHEMBL30759585 1.00 GRM5 (0.33) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27119204 0.90 PIK3CD (0.33) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27118811 0.89 GRM5 (0.38) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759535 0.89 GRM5 (0.38) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759666 0.85 IKBKB (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27122692 0.85 IKBKB (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27119088 0.85 PIK3CD (0.37) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759686 0.85 GRM5 (0.37) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27119422 0.85 GRM5 (0.37) GRM5PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27119087 0.84 PIK3CD (0.35) 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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