SCHEMBL5837262

SCHEMBL5837262

CC(C)c1cnc(NC(=O)c2cccc(C#N)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.67
CDK2 P24941 6/20 0.67
CDK5 Q00535 6/20 0.67
PDE10A Q9Y233 3/20 0.59
GRM5 P41594 4/20 0.51
CCNT1 O60563 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK5R1 Q15078 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDR P35968 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL5836105 0.85 CDK2 (0.70) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835970 0.83 CCNE1 (0.74) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6286123 0.83 CCNE1 (0.68) CCNE1CDK2CDK5GRM5CCNT1
SCHEMBL5836282 0.82 CCNE1 (0.69) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835428 0.82 CDK2 (0.72) CCNE1CDK2CDK5GRM5CCNT1
SCHEMBL5835396 0.82 CCNE1 (0.72) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835431 0.82 CCNE1 (0.72) CCNE1CDK2CDK5GRM5CCNT1
SCHEMBL5836056 0.82 CCNE1 (0.72) CCNE1CDK2CDK5GRM5CCNT1
SCHEMBL5836102 0.81 CDK2 (1.00) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836788 0.81 CCNE1 (0.73) CCNE1CDK2CDK5CCNT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US claimed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP claimed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP disclosed