SCHEMBL5836084

SCHEMBL5836084

CC(C)c1cnc(NC(=O)c2ccc(I)cc2)s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.75
CCNE1 P24864 6/20 0.75
CDK5 Q00535 6/20 0.75
SMN1; SMN2 Q16637 2/20 0.52
CCNT1 O60563 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
CCNH P51946 1/20 0.52
MNAT1 P51948 1/20 0.52
CDK5R1 Q15078 1/20 0.52
FDPS P14324 1/20 0.49
KDR P35968 1/20 0.49
SCD O00767 1/20 0.48
RAB9A P51151 3/20 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
SCHEMBL5835261 0.87 CDK2 (0.77) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6176147 0.87 CDK2 (0.82) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835791 0.87 CDK2 (0.77) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5836120 0.87 CDK2 (0.77) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835822 0.86 CDK2 (0.75) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835551 0.86 CDK2 (0.75) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835708 0.86 CDK2 (0.75) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5836102 0.86 CDK2 (1.00) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5836842 0.85 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835456 0.85 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2CCNT1

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