SCHEMBL3389148

SCHEMBL3389148

COc1ccc(F)c(F)c1C(=O)c1sc(NC2CCN(OC(=O)OC(C)(C)C)CC2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.49
CCNA2 P20248 4/20 0.49
CDK4 P11802 8/20 0.48
CCND1 P24385 8/20 0.48
CDK9 P50750 5/20 0.48
CDK6 Q00534 5/20 0.48
CDK11A Q9UQ88 5/20 0.48
CDK5 Q00535 4/20 0.48
CDK1 P06493 4/20 0.48
DYRK1A Q13627 2/20 0.48
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

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
SCHEMBL3389143 0.89 CDK2 (0.62) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL3389650 0.87 CCNA2 (0.53) CDK2CCNA2CDK5DYRK1ACLK1
SCHEMBL3384801 0.85 CDK2 (0.51) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL3386067 0.83 CDK2 (0.67) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL3385078 0.82 CDK5 (0.58) CDK2CCNA2CDK4CCND1CDK9
Formaldehyde SCHEMBL5005032 0.81 CDK5 (0.56) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL3387481 0.79 CDK5 (0.65) CDK2CCNA2CDK5GSK3AGSK3B
Formaldehyde SCHEMBL3387471 0.78 CDK2 (0.60) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL3388417 0.76 CCNA2 (0.66) CDK2CCNA2CDK5DYRK1ACLK1
SCHEMBL6408297 0.75 CDK2 (0.70) CDK2CCNA2CDK4CCND1CDK9

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-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP claimed