SCHEMBL24670397

SCHEMBL24670397

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(CCNc3ccc(S(N)(=O)=O)cc3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.71
CCNA2 P20248 5/20 0.71
CCNA1 P78396 5/20 0.71
CACNA1B Q00975 3/20 0.71
CDK1 P06493 14/20 0.60
CDK5 Q00535 8/20 0.60
CCNE1 P24864 5/20 0.60
CDK7 P50613 4/20 0.60
CCNB1 P14635 4/20 0.60
CDK9 P50750 3/20 0.60
CDK5R1 Q15078 3/20 0.60
CSNK1D P48730 2/20 0.60
CLK2 P49760 2/20 0.60
CSNK1G2 P78368 2/20 0.60
DYRK1A Q13627 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
CSNK1G1 Q9HCP0 2/20 0.60
CCNK O75909 2/20 0.60
CCNE2 O96020 2/20 0.60
CDK12 Q9NYV4 2/20 0.60

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
SCHEMBL24670401 0.88 CDK2 (0.64) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL24670404 0.84 CDK2 (0.68) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL17628623 0.83 CDK2 (1.00) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL5517026 0.83 CDK2 (1.00) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL24668659 0.82 CDK2 (0.65) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL24668640 0.82 CDK2 (0.64) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL28232529 0.82 CDK2 (0.89) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL28232469 0.81 CDK2 (0.85) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL24669725 0.81 CDK2 (0.68) CDK2CCNA2CCNA1CACNA1BCDK1
SCHEMBL28232483 0.81 CDK2 (0.84) CDK2CCNA2CCNA1CACNA1BCDK1

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed