SCHEMBL5835787

SCHEMBL5835787

CC(C)c1cnc(NC(=O)c2ccc(Br)o2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.59
CDK2 P24941 6/20 0.59
CDK5 Q00535 6/20 0.59
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 7/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.55
PKM P14618 2/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
LMNA P02545 1/20 0.53
CCNT1 O60563 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52

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
SCHEMBL10253565 0.83 RAB9A (0.75) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5836800 0.79 KDM4E (0.60) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5835719 0.78 NPC1 (0.70) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5836867 0.76 CDK2 (0.61) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL881751 0.76 L3MBTL1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5835126 0.76 KMT2A (0.65) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5835973 0.75 CDK2 (0.71) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5835988 0.75 CDK2 (0.67) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5835740 0.74 CCNE1 (0.77) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL27574298 0.74 CDK2 (0.71) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1

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