SCHEMBL27358142

SCHEMBL27358142

CC(C)(O)c1cccc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.53
▸ CCND1 P24385 15/20 0.53
▸ CDK4 P11802 8/20 0.53
▸ CDK1 P06493 3/20 0.53
▸ CCNE1 P24864 18/20 0.53
▸ CDK6 Q00534 13/20 0.53
▸ CCNT1 O60563 4/20 0.53
▸ CDK9 P50750 4/20 0.53
▸ CCND3 P30281 2/20 0.51
▸ CCNB1 P14635 1/20 0.51

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
SCHEMBL30726201 0.83 CDK2 (0.55) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27033299 0.83 CDK2 (0.55) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27359926 0.82 TDO2 (0.46) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL30804785 0.81 CDK2 (0.53) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27061762 0.81 CDK2 (0.53) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27061753 0.80 CDK2 (0.55) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27061752 0.80 CDK2 (0.58) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL30804793 0.80 CDK2 (0.58) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL27061977 0.80 CDK2 (0.56) CDK2CCND1CDK4CDK1CCNE1
SCHEMBL31538947 0.79 CDK2 (0.62) CDK2CCND1CDK4CDK1CCNE1

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-2024039903-A2 CDK2 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-02-22 — — WO disclosed
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