SCHEMBL27117685

SCHEMBL27117685

COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cncc(C(N)=O)c4)c(OC)cc2CC3)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 9/20 0.37
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ PIK3CD O00329 6/20 0.34
▸ PIK3R2 O00459 6/20 0.34
▸ PIK3CA P42336 6/20 0.34
▸ PIK3CB P42338 6/20 0.34
▸ PIK3CG P48736 6/20 0.34
▸ PIK3R5 Q8WYR1 6/20 0.34
▸ PIK3R3 Q92569 6/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ UGCG Q16739 1/20 0.31

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
SCHEMBL27123503 0.96 IKBKB (0.37) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27123170 0.93 IKBKB (0.36) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27124148 0.90 IKBKB (0.37) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27123489 0.90 PIK3CD (0.41) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27117594 0.90 GRM5 (0.34) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL30759547 0.90 GRM5 (0.34) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27123995 0.89 IKBKB (0.34) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27124087 0.88 CCNA2 (0.39) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL30759666 0.88 IKBKB (0.33) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27122692 0.88 IKBKB (0.33) IKBKBCCNA2CDK2CCNA1PIK3CD

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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