SCHEMBL5745698

SCHEMBL5745698

Nc1nc(Nc2ccc(N3CCN(OC(=O)O)CC3)cc2)sc1C(=O)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.68
CDK2 P24941 6/20 0.68
CDK5 Q00535 8/20 0.65
CDK5R1 Q15078 7/20 0.65
CDK4 P11802 7/20 0.64
CCND1 P24385 7/20 0.64
CCNT1 O60563 5/20 0.64
CDK9 P50750 5/20 0.64
CDK6 Q00534 5/20 0.64
CDK11A Q9UQ88 5/20 0.64
LTK P29376 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CDK7 P50613 1/20 0.54
LIMK1 P53667 1/20 0.54
PRKCQ Q04759 1/20 0.54
TAOK1 Q7L7X3 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
ALK Q9UM73 1/20 0.54

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
SCHEMBL5744612 0.89 CCNA2 (0.70) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5743992 0.86 CCNA2 (0.68) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5742993 0.86 CDK4 (0.80) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5743612 0.85 CDK4 (0.68) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5741598 0.85 CCNA2 (0.64) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5745243 0.85 MEN1 (0.59) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5741273 0.84 CCNA2 (0.62) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5742426 0.84 CCNA2 (0.62) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL4333315 0.83 CCNA2 (0.64) CCNA2CDK2CDK5CDK5R1CDK4
SCHEMBL5743038 0.83 CDK4 (0.68) CCNA2CDK2CDK5CDK5R1CDK4

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
EP-1358169-B1 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE HOFFMANN LA ROCHE (CH) 2006-01-11 EP claimed