SCHEMBL27120779

SCHEMBL27120779

CC1(C)C(=O)NCCN1C(=O)c1nn(-c2ccccn2)c2c1CCc1ccc(-c3cncc(C(N)=O)c3)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ IKBKB O14920 10/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R2 O00459 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIK3R5 Q8WYR1 1/20 0.33
▸ PIK3R3 Q92569 1/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ MAP3K11 Q16584 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL27125530 0.89 CCNA2 (0.40) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL30759683 0.89 CCNA2 (0.40) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL27127114 0.89 CCNA2 (0.40) CCNA2CDK2CCNA1IKBKBPIK3CD
SCHEMBL30759615 0.89 CCNA2 (0.40) CCNA2CDK2CCNA1IKBKBPIK3CD
SCHEMBL27127576 0.87 IKBKB (0.35) CCNA2CDK2CCNA1IKBKB
SCHEMBL30759639 0.87 IKBKB (0.35) CCNA2CDK2CCNA1IKBKB
SCHEMBL30759654 0.81 CYP11B2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27125685 0.81 CYP11B2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL27120798 0.81 CCNA2 (0.40) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL30759735 0.81 IKBKB (0.31) CCNA2CDK2CCNA1IKBKBCYP11B2

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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