SCHEMBL5835951

SCHEMBL5835951

COc1cc(OC)cc(C(=O)Nc2ncc(C(C)C)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.64
CDK2 P24941 6/20 0.64
CDK5 Q00535 6/20 0.64
ALDH1A1 P00352 5/20 0.51
CSNK2A2 P19784 3/20 0.49
CSNK2A1 P68400 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
G6PD P11413 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
STAT3 P40763 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47

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
SCHEMBL5836282 0.88 CCNE1 (0.69) CCNE1CDK2CDK5ALDH1A1CSNK2A2
SCHEMBL5835991 0.87 CCNE1 (0.71) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5836147 0.85 CCNE1 (0.61) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835992 0.82 CDK2 (0.68) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835446 0.81 CDK2 (0.67) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835385 0.81 CDK2 (0.67) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835381 0.81 CDK2 (0.63) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835758 0.81 CCNE1 (0.66) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835456 0.80 CDK2 (0.73) CCNE1CDK2CDK5ALDH1A1CSNK2A2
SCHEMBL5835645 0.80 CDK2 (0.65) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2

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 8 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
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
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