SCHEMBL5835682

SCHEMBL5835682

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.65
CCNE1 P24864 8/20 0.65
CDK5 Q00535 8/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
CCNT1 O60563 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CDK1 P06493 1/20 0.64
CDK4 P11802 1/20 0.64
CCNB1 P14635 1/20 0.64
CCNA2 P20248 1/20 0.64
CCND1 P24385 1/20 0.64
CDK7 P50613 1/20 0.64
CDK9 P50750 1/20 0.64
CCNH P51946 1/20 0.64
MNAT1 P51948 1/20 0.64
CDK5R1 Q15078 1/20 0.64
FDPS P14324 1/20 0.50
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 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
SCHEMBL13436514 0.86 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835570 0.84 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835819 0.83 CDK2 (0.63) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL13436516 0.82 CDK2 (0.59) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5836043 0.82 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835907 0.82 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CCNT1
Hydrochloric Acid SCHEMBL27569438 0.81 CDK2 (0.64) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL681610 0.80 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6191790 0.80 CDK2 (0.62) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835651 0.80 SMN1; SMN2 (0.61) 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 disclosed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP 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