SCHEMBL27122865

SCHEMBL27122865

CC1(C)COCCN1C(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c2c1CCc1cc(O)c(-c3cncc(C(N)=O)c3)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 13/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3R2 O00459 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3R5 Q8WYR1 2/20 0.34
▸ PIK3R3 Q92569 2/20 0.34

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
SCHEMBL30759659 1.00 IKBKB (0.36) IKBKBGRM5CCNA2CDK2CCNA1
SCHEMBL30759547 0.91 GRM5 (0.34) IKBKBGRM5CCNA2CDK2CCNA1
SCHEMBL27117594 0.91 GRM5 (0.34) IKBKBGRM5CCNA2CDK2CCNA1
SCHEMBL27123232 0.91 IKBKB (0.38) IKBKBGRM5CCNA2CDK2CCNA1
SCHEMBL27123170 0.89 IKBKB (0.36) IKBKBGRM5CCNA2CDK2CCNA1
SCHEMBL27118847 0.86 GRM5 (0.34) IKBKBGRM5PIK3CDPIK3R2PIK3CA
SCHEMBL27123489 0.84 PIK3CD (0.41) IKBKBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27124148 0.84 IKBKB (0.37) IKBKBCCNA2CDK2CCNA1PIK3CD
SCHEMBL27120416 0.84 IKBKB (0.33) IKBKBCCNA2CDK2CCNA1
SCHEMBL27123503 0.83 IKBKB (0.37) IKBKBGRM5CCNA2CDK2CCNA1

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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