SCHEMBL24670510

SCHEMBL24670510

CC(C)CNc1ncc2ccc(=O)n(CCCS(=O)(=O)n3cnc(C4CC4)n3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 16/20 0.42
▸ CCND1 P24385 16/20 0.42
▸ CCND2 P30279 14/20 0.42
▸ CCND3 P30281 14/20 0.42
▸ CCNE1 P24864 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CCNB2 O95067 2/20 0.40
▸ CCNE2 O96020 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ FGFR2 P21802 2/20 0.40
▸ FGFR4 P22455 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ CCNB3 Q8WWL7 2/20 0.40
▸ MAPK8 P45983 3/20 0.35
▸ MAPK9 P45984 3/20 0.35
▸ MAPK10 P53779 3/20 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
SCHEMBL24669771 0.88 CCND1 (0.41) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24670502 0.86 CCND1 (0.49) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24668739 0.86 CCND1 (0.43) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24669772 0.85 CCND1 (0.47) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24668736 0.84 CCND1 (0.35) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24670501 0.84 CCND1 (0.56) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24669765 0.84 CCND1 (0.43) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24668813 0.83 MAPK8 (0.49) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL24667904 0.82 CCNE1 (0.54) CDK4CCND1CCND3CCNE1CDK2
SCHEMBL24668734 0.82 CCND1 (0.35) CDK4CCND1CCND2CCND3CCNE1

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 — — WO disclosed
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