SCHEMBL5835655

SCHEMBL5835655

CC(C)c1cnc(NC(=O)Cc2cn(C)c3ccccc23)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CCNE1 P24864 4/20 0.61
CDK2 P24941 4/20 0.61
CDK5 Q00535 4/20 0.61
CCNT1 O60563 1/20 0.61
CDK1 P06493 1/20 0.61
CDK4 P11802 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CCND1 P24385 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
CCNH P51946 1/20 0.61
MNAT1 P51948 1/20 0.61
CDK5R1 Q15078 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GLS O94925 3/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.55

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
SCHEMBL20588602 0.82 GLS (0.59) ALDH1A1GLSMAPTLMNAKDM4E
SCHEMBL4161615 0.81 GLS (0.58) ALDH1A1CDK2SMN1; SMN2GLSMAPT
SCHEMBL5836020 0.80 CCNE1 (0.67) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL5835897 0.78 CDK2 (0.64) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL5835961 0.78 CCNE1 (0.70) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL5835546 0.78 CCNE1 (0.70) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL5836172 0.78 CDK2 (0.70) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL5835623 0.77 MAPT (0.74) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL1535301 0.77 CCNE1 (1.00) ALDH1A1CCNE1CDK2CDK5CCNT1
SCHEMBL24917111 0.76 KMT2A (0.69) ALDH1A1CDK5CDK7CDK9SMN1; 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