SCHEMBL27361833

SCHEMBL27361833

CC(C)n1c(=O)c(C(F)F)cc2cnc([S+](C)[O-])nc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 6/20 0.33
CCNE1 P24864 5/20 0.33
CDK2 P24941 5/20 0.33
CDK6 Q00534 5/20 0.33
CDK4 P11802 1/20 0.30
CCND2 P30279 1/20 0.30
CCND3 P30281 1/20 0.30

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
SCHEMBL25123909 0.78 PIM1 (0.37) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL29991127 0.78 PIM1 (0.37) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL31073291 0.78 CDK2 (0.56) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL25123908 0.76 CCND1 (0.39) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL30872552 0.76 CCND1 (0.39) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL5265428 0.75 CDK4 (0.52) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL30837281 0.72 CSNK1D (0.30)
SCHEMBL30837301 0.72
SCHEMBL16071689 0.72 FGFR1 (0.44)
SCHEMBL30837273 0.71

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