SCHEMBL5835869

SCHEMBL5835869

COc1cccc(C(=O)Nc2ncc(C(C)C)s2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPT P10636 2/20 0.61
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
GAA P10253 3/20 0.57
CCNE1 P24864 6/20 0.57
CDK2 P24941 6/20 0.57
CDK5 Q00535 6/20 0.57
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 2/20 0.50
ALDH1A1 P00352 5/20 0.48
CCNT1 O60563 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 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
SCHEMBL5835976 0.89 CCNE1 (0.64) KDM4EMAPTRAB9ANPC1GAA
SCHEMBL5835908 0.84 CCNE1 (0.53) KDM4EMAPTRAB9ANPC1CCNE1
SCHEMBL5836033 0.81 CDK2 (0.66) MAPTRAB9ANPC1CCNE1CDK2
SCHEMBL5836421 0.80 ALDH1A1 (0.68) MAPTRAB9ANPC1GAACCNE1
SCHEMBL5836147 0.80 CCNE1 (0.61) KDM4EMAPTRAB9ACCNE1CDK2
SCHEMBL6282725 0.80 CDK2 (0.63) RAB9ANPC1CCNE1CDK2CDK5
SCHEMBL6279193 0.79 ROCK2 (0.56) CCNE1CDK2CDK5POLBSMN1; SMN2
SCHEMBL5834970 0.79 CCNE1 (0.64) KDM4EMAPTRAB9ANPC1GAA
SCHEMBL5835450 0.79 NPC1 (0.58) KDM4ERAB9ANPC1GAACCNE1
SCHEMBL5835868 0.78 KCNMA1 (0.61) KDM4EMAPTNPC1GAACCNE1

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