SCHEMBL5835664

SCHEMBL5835664

CC(C)c1cnc(NC(=O)c2ccccc2I)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.67
CCNE1 P24864 6/20 0.67
CDK5 Q00535 6/20 0.67
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CCNT1 O60563 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
CDK5R1 Q15078 1/20 0.56
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
FDPS P14324 1/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL5836180 0.85 CDK2 (0.69) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6177659 0.85 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836136 0.84 CCNE1 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835388 0.84 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835988 0.84 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836033 0.83 CDK2 (0.66) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835764 0.83 CDK2 (0.66) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL24072507 0.82 CDK2 (0.64) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5837048 0.82 CDK2 (0.64) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL30142906 0.82 CDK2 (0.64) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2

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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed