SCHEMBL27362368

SCHEMBL27362368

Cc1cc(SC2CCN(C)CC2)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 13/20 0.50
CDK2 P24941 12/20 0.50
CDK6 Q00534 8/20 0.50
CDK4 P11802 8/20 0.50
CCNE1 P24864 7/20 0.50
CCND3 P30281 3/20 0.50
CCNT1 O60563 2/20 0.50
CDK9 P50750 2/20 0.50
TTK P33981 5/20 0.47
PRKDC P78527 3/20 0.47
CSF1R P07333 2/20 0.47
CCNA2 P20248 6/20 0.46
FGFR1 P11362 3/20 0.46
PIK3CD O00329 1/20 0.46
PRKAB2 O43741 1/20 0.46
NUAK1 O60285 1/20 0.46
ABL1 P00519 1/20 0.46
FYN P06241 1/20 0.46
CDK1 P06493 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL27370551 0.89 CCND1 (0.47) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL30837012 0.85 CCND1 (0.51) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL27229160 0.85 CCND1 (0.51) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL30836970 0.83 CDK2 (0.53) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL27229159 0.83 CDK2 (0.53) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL27357557 0.82 CCND1 (0.49) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL27360177 0.81 TTK (0.49) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL27358626 0.81 CCND1 (0.54) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL25122980 0.79 CDK2 (0.57) CCND1CDK2CDK6CDK4CCNE1
SCHEMBL29990907 0.79 CDK2 (0.57) CCND1CDK2CDK6CDK4CCNE1

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