SCHEMBL7991975

SCHEMBL7991975

Cc1ccc(-c2nc(C(=O)OC(C)(C)C)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.49
GCGR P47871 3/20 0.49
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
RAF1 P04049 1/20 0.46
CDC7 O00311 1/20 0.45
ALOX5 P09917 3/20 0.45
CSNK1D P48730 4/20 0.44
CSNK1E P49674 4/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TEK Q02763 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
SCHEMBL7991767 0.89 MAPK11 (0.57) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7995659 0.89 GCGR (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7977727 0.89 RAF1 (0.55) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7989693 0.88 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL7977803 0.88 GCGR (0.53) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7995167 0.85 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7991775 0.84 ALOX5 (0.59) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7977738 0.82 MAPK14 (0.56) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7992039 0.82 MAPK14 (0.56) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7989739 0.80 MAPK14 (0.56) MAPK14GCGRMAPK13MAPK12MAPK11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed