SCHEMBL27360177

SCHEMBL27360177

Cc1cc(N2CCN(C)CC2=O)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.49
CCND1 P24385 13/20 0.49
CDK2 P24941 11/20 0.49
CDK4 P11802 9/20 0.49
CCNE1 P24864 8/20 0.49
CDK6 Q00534 7/20 0.49
CCND3 P30281 5/20 0.49
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
CCNA2 P20248 6/20 0.49
FGFR1 P11362 4/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CSF1R P07333 2/20 0.49
NUAK1 O60285 2/20 0.49
MARK3 P27448 2/20 0.49
MARK2 Q7KZI7 2/20 0.49
MARK4 Q96L34 2/20 0.49
NUAK2 Q9H093 2/20 0.49
MARK1 Q9P0L2 2/20 0.49

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
SCHEMBL27358291 0.89 CCND1 (0.51) TTKCCND1CDK2CDK4CCNE1
SCHEMBL25123507 0.86 CCND1 (0.45) TTKCCND1CDK2CDK4CCNE1
SCHEMBL29991330 0.86 CDK4 (0.55) CCND1CDK2CDK4CCNE1CDK6
SCHEMBL25122954 0.86 CDK4 (0.55) CCND1CDK2CDK4CCNE1CDK6
SCHEMBL25123480 0.86 CCND1 (0.47) TTKCCND1CDK2CDK4CCNE1
SCHEMBL29991840 0.86 CCND1 (0.47) TTKCCND1CDK2CDK4CCNE1
SCHEMBL25123157 0.85 CCND1 (0.51) TTKCCND1CDK2CDK4CCNE1
SCHEMBL29991408 0.85 CCND1 (0.51) TTKCCND1CDK2CDK4CCNE1
SCHEMBL27358289 0.85 EGFR (0.48) TTKCCND1CDK2CDK4CCNE1
SCHEMBL27360239 0.83 CDK4 (0.68) CCND1CDK2CDK4CCNE1CCND3

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