SCHEMBL4695319

SCHEMBL4695319

CC(C)Nc1nc2cnc(C(=O)O)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
PTP4A3 O75365 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.37
ATAD2 Q6PL18 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2271697 0.86 RAB9A (0.45) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2271723 0.77 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL23628970 0.76 SMN1; SMN2 (0.54) MAPK14KDM4ENPC1RAB9ALMNA
SCHEMBL2273200 0.76 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL2273344 0.76 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL17801241 0.75 CCNA2 (0.39) MAPK14KDM4ECCNA2CDK2PTP4A3
SCHEMBL4499710 0.75 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL4500018 0.73 NPC1 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL21062055 0.72 HCAR3 (0.46) MAPK14KDM4ECCNA2CDK2LMNA
SCHEMBL9963507 0.69 NPC1 (0.45) NPC1RAB9ALMNAHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910348-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed