SCHEMBL4693524

SCHEMBL4693524

CC(C)Nc1nc2ccc(C(C=O)c3ccccc3F)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
SCN1A P35498 2/20 0.31
SCN5A Q14524 2/20 0.31
SCN8A Q9UQD0 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2270437 0.72 RAB9A (0.38) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL12401951 0.70 IRAK4 (0.37) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL2275901 0.68 KMT2A (0.40) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL2273133 0.65 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14619279 0.65 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL2279956 0.65 IRAK4 (0.52) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL9347326 0.65 CES2 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2275204 0.65 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL12373301 0.64 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5071497 0.63 NFE2L2 (0.38) ALDH1A1MAPTMEN1RAB9AKMT2A

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