SCHEMBL5087248

SCHEMBL5087248

CC(C)(C)c1cc(NC(=O)O)n(-c2cccc(F)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.68
MAPK13 O15264 12/20 0.64
MAPK12 P53778 12/20 0.64
MAPK11 Q15759 12/20 0.64
JAK2 O60674 1/20 0.59
DDR2 Q16832 2/20 0.58
GAA P10253 1/20 0.58
MAPK9 P45984 1/20 0.57
CDK8 P49336 1/20 0.56

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
SCHEMBL1011007 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL1012719 0.86 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL3621438 0.85 CDK8 (0.67) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL5734057 0.83 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4420318 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL2314764 0.82 GRN (0.74) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL20569742 0.81 MAP3K7 (0.61) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL5732718 0.81 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL1600309 0.81 CDK8 (0.82) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL4080679 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074395-A1 PROCESS FOR THE PREPARATION OF 8-(4-AMINOPHENOXY)-4H-PYRIDO[2,3-B]PYRAZIN-3-ONE DERIVATIVES Cancer Research Technology Ltd (GB) 2016-10-05 EP disclosed
WO-2015075482-A1 PROCESS FOR THE PREPARATION OF 8-(4-AMINOPHENOXY)-4H-PYRIDO[2,3-B]PYRAZIN-3-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-05-28 WO disclosed
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed