SCHEMBL5835643

SCHEMBL5835643

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.56
PSEN2 P49810 12/20 0.56
APH1B Q8WW43 12/20 0.56
NCSTN Q92542 12/20 0.56
APH1A Q96BI3 12/20 0.56
PSENEN Q9NZ42 12/20 0.56
CDK2 P24941 7/20 0.55
CCNE1 P24864 6/20 0.55
CDK5 Q00535 6/20 0.55
CCNT1 O60563 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47

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
SCHEMBL5835654 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5835993 0.83 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5835780 0.82 CDK2 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27550543 0.78 CDK2 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27569831 0.78 CDK2 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5836593 0.78 CDK2 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27549752 0.76 CDK2 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5835703 0.75 CDK2 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27549761 0.75 CDK2 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5835698 0.74 CDK2 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A

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