SCHEMBL3388424

SCHEMBL3388424

COc1ccc(C(=O)c2sc(NC3CCN(S(C)(=O)=O)CC3)nc2N)cc1F.COc1ccc(C(=O)c2sc(NC3CCNCC3)nc2N)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.58
CDK5R1 Q15078 3/20 0.58
CDK2 P24941 13/20 0.50
CCNA2 P20248 3/20 0.50
CDK1 P06493 10/20 0.49
CDK4 P11802 10/20 0.49
CCND1 P24385 10/20 0.49
CLK1 P49759 2/20 0.48
CASK O14936 1/20 0.48
ROCK2 O75116 1/20 0.48
CDKL5 O76039 1/20 0.48
STK10 O94804 1/20 0.48
CDK14 O94921 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
MAK P20794 1/20 0.48
CDK11B P21127 1/20 0.48
TTK P33981 1/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48

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
SCHEMBL3384731 0.95 CDK2 (0.53) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3382774 0.91 CDK5 (0.68) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3389651 0.89 CDK5 (0.59) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3389151 0.86 CDK5 (0.49) CDK5CDK5R1CDK2CCNA2CDK1
Formaldehyde SCHEMBL3387471 0.86 CDK2 (0.60) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3388436 0.85 CDK5 (0.80) CDK5CDK5R1CDK2CCNA2CDK1
Dimethylformamide SCHEMBL27686697 0.84 CDK5 (0.45) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3386135 0.83 CDK2 (0.51) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3386123 0.83 MEN1 (0.52) CDK5CDK5R1CDK2CCNA2CLK1
SCHEMBL3386067 0.82 CDK2 (0.67) CDK5CDK5R1CDK2CCNA2CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP disclosed
EP-1771424-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed