SCHEMBL5835976

SCHEMBL5835976

COc1ccccc1C(=O)Nc1ncc(C(C)C)s1

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
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
PKM P14618 1/20 0.56
PAX8 Q06710 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CCNT1 O60563 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND1 P24385 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54

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
SCHEMBL5835869 0.89 KDM4E (0.61) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836421 0.88 ALDH1A1 (0.68) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5834970 0.87 CCNE1 (0.64) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836033 0.86 CDK2 (0.66) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835908 0.85 CCNE1 (0.53) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835450 0.84 NPC1 (0.58) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6286038 0.84 SMN1; SMN2 (0.65) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835868 0.83 KCNMA1 (0.61) CCNE1CDK2CDK5NPC1ALDH1A1
SCHEMBL5836180 0.83 CDK2 (0.69) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6177659 0.83 CDK2 (0.73) CCNE1CDK2CDK5RAB9APKM

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