SCHEMBL27124148

SCHEMBL27124148

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1ccncc1)CC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.37
▸ PIK3CD O00329 9/20 0.35
▸ PIK3R2 O00459 9/20 0.35
▸ PIK3CA P42336 9/20 0.35
▸ PIK3CB P42338 9/20 0.35
▸ PIK3CG P48736 9/20 0.35
▸ PIK3R5 Q8WYR1 9/20 0.35
▸ PIK3R3 Q92569 9/20 0.35
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ GABRA5 P31644 1/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL27123489 0.94 PIK3CD (0.41) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27124087 0.93 CCNA2 (0.39) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27123995 0.92 IKBKB (0.34) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27117594 0.92 GRM5 (0.34) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759547 0.92 GRM5 (0.34) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27123503 0.91 IKBKB (0.37) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30759666 0.91 IKBKB (0.33) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27122692 0.91 IKBKB (0.33) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27123170 0.91 IKBKB (0.36) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27124424 0.91 IKBKB (0.35) IKBKBCCNA2CDK2CCNA1GABRA5

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