SCHEMBL5836059

SCHEMBL5836059

CC(C)c1cnc(NC(=O)c2ccc3[nH]ccc3c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.59
CDK2 P24941 6/20 0.59
CDK5 Q00535 6/20 0.59
ABL1 P00519 1/20 0.48
MAOB P27338 5/20 0.47
MAOA P21397 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
WNT1 P04628 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
CCNT1 O60563 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK7 P50613 1/20 0.45

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
SCHEMBL5835398 0.91 CDK2 (0.59) CCNE1CDK2CDK5MAOBTAS1R3
SCHEMBL6286071 0.83 CDK2 (0.60) CCNE1CDK2CDK5MAOBMAOA
SCHEMBL5836142 0.82 CCNE1 (0.74) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836013 0.79 CDK2 (0.58) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835870 0.78 CDK2 (0.67) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6174999 0.77 CCNE1 (0.62) CCNE1CDK2CDK5TAS1R3TAS1R1
SCHEMBL5837029 0.77 CDK2 (0.66) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836194 0.77 CDK2 (0.66) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836120 0.76 CDK2 (0.77) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6176147 0.76 CDK2 (0.82) 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