SCHEMBL5835703

SCHEMBL5835703

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.67
CCNE1 P24864 6/20 0.67
CDK5 Q00535 6/20 0.67
PSEN1 P49768 3/20 0.53
PSEN2 P49810 3/20 0.53
APH1B Q8WW43 3/20 0.53
NCSTN Q92542 3/20 0.53
APH1A Q96BI3 3/20 0.53
PSENEN Q9NZ42 3/20 0.53
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

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
SCHEMBL27549761 1.00 CDK2 (0.67) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL5836412 0.87 CDK2 (0.60) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL27569831 0.86 CDK2 (0.70) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL5836593 0.86 CDK2 (0.70) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL2463824 0.81 CDK2 (1.00) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL5835780 0.80 CDK2 (0.62) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL5835434 0.79 CDK2 (0.57) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL27550546 0.79 CDK2 (0.61) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL5835860 0.79 CDK2 (0.61) CDK2CCNE1CDK5PSEN1PSEN2
SCHEMBL6193347 0.78 CDK2 (0.77) CDK2CCNE1CDK5PSEN1PSEN2

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 1 patent. 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 disclosed