SCHEMBL4072017

SCHEMBL4072017

Cc1ccccc1-c1nccc(C(O)(CC(=O)O)c2ccc(F)cc2F)c1NC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ P2RY1 P47900 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CTSA P10619 5/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ PTGFR P43088 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ KCNN4 O15554 1/20 0.31

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
SCHEMBL2079067 0.90 ABL1 (0.34) ABL1P2RY1GAADHODHNR3C1
SCHEMBL13353942 0.89 ABL1 (0.35) ABL1P2RY1GAADHODHNR3C1
SCHEMBL4070987 0.86 P2RY1 (0.33) ABL1P2RY1NR3C1CTSAPTGFR
SCHEMBL2080175 0.81 DGAT2 (0.39) MAPK13MAPK12MAPK11MAPK14NTRK1
SCHEMBL2826952 0.77 MAPK14 (0.44) ABL1GAADHODHMAPK13MAPK12
SCHEMBL2081557 0.75 CCNT1 (0.34) MAPK13MAPK12MAPK11MAPK14
SCHEMBL13321786 0.69 CCNT1 (0.34) —
SCHEMBL13321787 0.69 CCNT1 (0.35) —
SCHEMBL13353994 0.68 CNR2 (0.33) —
SCHEMBL2079338 0.67 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14

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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