SCHEMBL5836043

SCHEMBL5836043

CC(C)c1cnc(NC(=O)CCCl)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.61
CCNE1 P24864 6/20 0.61
CDK5 Q00535 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CCNT1 O60563 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CDK1 P06493 1/20 0.61
CDK4 P11802 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CCND1 P24385 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
CCNH P51946 1/20 0.61
MNAT1 P51948 1/20 0.61
CDK5R1 Q15078 1/20 0.61
FDPS P14324 1/20 0.48
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 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
SCHEMBL5835819 0.90 CDK2 (0.63) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835907 0.85 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CCNT1
Hydrochloric Acid SCHEMBL27569438 0.84 CDK2 (0.64) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL13436514 0.83 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6191790 0.83 CDK2 (0.62) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835570 0.82 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835682 0.82 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6174125 0.82 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5837242 0.81 CDK2 (0.56) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL27549752 0.81 CDK2 (0.56) CDK2CCNE1CDK5SMN1; SMN2CCNT1

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 4 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed