SCHEMBL27123717

SCHEMBL27123717

COc1cc2c(cc1Br)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1ccccn1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.43
▸ PIK3R2 O00459 8/20 0.43
▸ PIK3CA P42336 8/20 0.43
▸ PIK3CB P42338 8/20 0.43
▸ PIK3CG P48736 8/20 0.43
▸ PIK3R5 Q8WYR1 8/20 0.43
▸ PIK3R3 Q92569 8/20 0.43
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ GRM5 P41594 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KIT P10721 1/20 0.35

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
SCHEMBL30759644 1.00 PIK3CD (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30759578 0.85 CCNA2 (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27123693 0.85 CCNA2 (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27122982 0.84 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30759626 0.84 PIK3CD (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30759592 0.84 GRM5 (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27119377 0.84 GRM5 (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30759609 0.83 GRM5 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27123561 0.83 GRM5 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30759614 0.83 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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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