SCHEMBL27852018

SCHEMBL27852018

N#Cc1cc(-c2ccccc2F)ccc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.55
HPGD P15428 4/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
JAK2 O60674 4/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
PDE4B Q07343 1/20 0.43
TTK P33981 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL141118 0.93 TYK2 (0.55) TYK2HPGDTSHRL3MBTL1JAK2
SCHEMBL144961 0.88 TYK2 (0.49) TYK2HPGDJAK2JAK1JAK3
SCHEMBL149035 0.87 TYK2 (0.53) TYK2HPGDJAK2JAK1JAK3
SCHEMBL142118 0.82 TTK (0.51) TYK2HPGDJAK2ALDH1A1MAPT
SCHEMBL27833935 0.81 TYK2 (0.55) TYK2HPGDTSHRJAK3LMNA
SCHEMBL142450 0.80 TYK2 (0.50) TYK2HPGDTSHRLMNAALDH1A1
SCHEMBL13952297 0.79 HPGD (0.60) HPGDTSHRL3MBTL1ALDH1A1EPHX2
SCHEMBL141845 0.79 TYK2 (0.48) TYK2HPGDTSHRJAK2JAK1
SCHEMBL13284559 0.78 TYK2 (0.51) TYK2HPGDTSHRL3MBTL1JAK2
SCHEMBL140875 0.78 EPHX2 (0.57) TYK2HPGDJAK2JAK1JAK3

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
CN-102325752-B Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2015-02-04 CN disclosed
CN-102325752-A Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN disclosed