SCHEMBL4078010

SCHEMBL4078010

CC(C)(C)C(=O)Nc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.40
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ BDKRB1 P46663 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ CES2 O00748 1/20 0.34

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
SCHEMBL2825730 0.92 MAPK13 (0.38) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2076784 0.91 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2826952 0.85 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2829217 0.84 EGFR (0.39) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2079338 0.84 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL2832374 0.83 RORB (0.41) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2081424 0.80 RIPK1 (0.36) MAPK14MAPTGSK3BSYKLMNA
SCHEMBL1643725 0.77 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL4070987 0.75 P2RY1 (0.33) MAPTGSK3BSYKLMNAABL1
SCHEMBL2828600 0.73 RORB (0.44) MAPK14MAPK13MAPK12MAPK11MAPT

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-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 — — EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO disclosed
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