SCHEMBL5835696

SCHEMBL5835696

CCOC(=O)CNCC(=O)Nc1ncc(Br)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
MAPK10 P53779 1/20 0.56
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
CDK5 Q00535 1/20 0.49
SETD1B Q9UPS6 1/20 0.46
CDK1 P06493 2/20 0.45
CDK4 P11802 2/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5835960 0.87 SMN1; SMN2 (0.62) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835589 0.84 SMN1; SMN2 (0.67) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL17353987 0.77 SMN1; SMN2 (0.72) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5842781 0.77 SMN1; SMN2 (0.63) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835735 0.75 SMN1; SMN2 (0.83) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL27780255 0.73 CCNE1 (0.71) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5836346 0.73 SMN1; SMN2 (0.65) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL28405114 0.72 CA12 (0.50) SMN1; SMN2MAPK10CCNE1CDK2CDK1
SCHEMBL6729 0.70 CCNE1 (0.59) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL29003794 0.70 MAPT (0.55) SMN1; SMN2CCNE1CDK2CDK1CDK4

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 3 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