SCHEMBL5835593

SCHEMBL5835593

CO[C@H](C(=O)Nc1ncc(C(C)C)s1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.62
CCNE1 P24864 6/20 0.62
CDK5 Q00535 6/20 0.62
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CCNT1 O60563 1/20 0.58
CDK1 P06493 1/20 0.58
CDK4 P11802 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNA2 P20248 1/20 0.58
CCND1 P24385 1/20 0.58
CDK7 P50613 1/20 0.58
CDK9 P50750 1/20 0.58
CCNH P51946 1/20 0.58
MNAT1 P51948 1/20 0.58
CDK5R1 Q15078 1/20 0.58
GLS O94925 5/20 0.55
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 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
SCHEMBL5835588 1.00 CDK2 (0.62) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835592 1.00 CDK2 (0.62) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835409 0.88 CDK2 (0.60) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835405 0.88 CDK2 (0.60) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835957 0.88 CDK2 (0.60) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836467 0.85 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836791 0.85 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836458 0.85 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836965 0.85 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481062 0.85 CDK2 (0.69) 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
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