SCHEMBL27360392

SCHEMBL27360392

NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C4CCOCC4)c3)n2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.59
CDK2 P24941 10/20 0.59
CDK1 P06493 7/20 0.58
CCNB1 P14635 7/20 0.58
CDK4 P11802 3/20 0.48
CCND1 P24385 3/20 0.48
CCND3 P30281 3/20 0.48
CDK6 Q00534 3/20 0.48
JAK2 O60674 3/20 0.44
TYK2 P29597 3/20 0.44
LRRK2 Q5S007 4/20 0.44
JAK1 P23458 2/20 0.43
CCNE2 O96020 3/20 0.43
CCNT1 O60563 2/20 0.43
CCNB2 O95067 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
PTK6 Q13882 1/20 0.40

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
SCHEMBL30291191 1.00 CCNE1 (0.59) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30291345 0.92 LRRK2 (0.51) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL27224903 0.86 CCNE1 (0.53) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL27225395 0.86 CCNE1 (0.52) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30883469 0.86 CCNE1 (0.52) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30883397 0.82 CCNE1 (0.50) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL27225069 0.82 CCNE1 (0.50) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30291212 0.81 CCNE1 (0.42) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL31121916 0.79 CCNE1 (0.46) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL30291303 0.79 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CDK4

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