SCHEMBL6174076

SCHEMBL6174076

CC(C)c1cnc(NC(=O)C2=CC(Br)=CCC2=S)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.50
CCNE1 P24864 6/20 0.50
CDK5 Q00535 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK5R1 Q15078 1/20 0.45
FDPS P14324 1/20 0.41
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37

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
SCHEMBL6174654 0.87 CDK2 (0.51) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL6174085 0.75 CDK2 (0.53) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5483779 0.75 CDK2 (0.56) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836867 0.72 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL6172476 0.69 CDK2 (0.51) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835988 0.69 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL681610 0.68 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835781 0.68 NPC1 (0.66) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835787 0.68 CCNE1 (0.59) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836061 0.67 CDK2 (0.62) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1

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
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 claimed
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 claimed