SCHEMBL5835698

SCHEMBL5835698

CC(C)c1cnc(NC(=O)[C@H](COCc2ccccc2)NC(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.57
CCNE1 P24864 6/20 0.57
CDK5 Q00535 6/20 0.57
CCNT1 O60563 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNA2 P20248 1/20 0.57
CCND1 P24385 1/20 0.57
CDK7 P50613 1/20 0.57
CDK9 P50750 1/20 0.57
CCNH P51946 1/20 0.57
MNAT1 P51948 1/20 0.57
CDK5R1 Q15078 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48

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
SCHEMBL27569411 1.00 CDK2 (0.57) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835803 0.86 CDK2 (0.63) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL27550543 0.86 CDK2 (0.63) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835827 0.84 CCNE1 (0.53) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5836034 0.81 CDK2 (0.57) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835434 0.81 CDK2 (0.57) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835780 0.79 CDK2 (0.62) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL13934304 0.78 CDK2 (0.67) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835860 0.75 CDK2 (0.61) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL27550546 0.75 CDK2 (0.61) CDK2CCNE1CDK5CCNT1ALDH1A1

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