SCHEMBL5835722

SCHEMBL5835722

COc1ccc2[nH]cc(CC(=O)Nc3ncc(C(C)C)s3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.54
MTNR1B P49286 7/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CDK5 Q00535 2/20 0.51
CCNT1 O60563 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51

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
SCHEMBL5835227 0.87 CCNE1 (0.58) KDM4EALDH1A1MAPTPKMHTT
SCHEMBL5835911 0.86 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1MAPTPKM
SCHEMBL5835627 0.86 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1MAPTPKM
SCHEMBL5835623 0.84 MAPT (0.74) ALDH1A1MAPTPKMHTTSMN1; SMN2
SCHEMBL4153462 0.83 LMNA (0.56) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL5835765 0.82 GLS (0.60) ALDH1A1MAPTSMN1; SMN2CCNE1CDK2
SCHEMBL5835602 0.78 CDK5 (0.73) ALDH1A1MAPTPKMSMN1; SMN2CCNE1
SCHEMBL15727740 0.78 GLS (0.66) MTNR1AMTNR1BKDM4ELMNA
SCHEMBL5835548 0.77 MEN1 (0.58) KDM4EALDH1A1MAPTSMN1; SMN2CCNE1
SCHEMBL5835984 0.77 ALDH1A1 (0.71) ALDH1A1PKMHTTSMN1; SMN2CCNE1

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 6 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
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
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