SCHEMBL5836593

SCHEMBL5836593

CC(C)c1cnc(NC(=O)[C@H](C)NC(=O)O)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.70
CCNE1 P24864 6/20 0.70
CDK5 Q00535 6/20 0.70
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CCNT1 O60563 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND1 P24385 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54
CDK5R1 Q15078 1/20 0.54
PSEN1 P49768 4/20 0.52
PSEN2 P49810 4/20 0.52
APH1B Q8WW43 4/20 0.52
NCSTN Q92542 4/20 0.52

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
SCHEMBL27569831 1.00 CDK2 (0.70) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL27549761 0.86 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835703 0.86 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL8260342 0.85 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5875523 0.85 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL2463824 0.83 CDK2 (1.00) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835780 0.82 CDK2 (0.62) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5875507 0.82 PSEN1 (0.71) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL8257260 0.82 PSEN1 (0.71) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL8257267 0.82 CDK2 (0.58) 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 2 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
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