SCHEMBL7216465

SCHEMBL7216465

CCc1ccc(Nc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.54
MAPK14 Q16539 7/20 0.53
MAPK13 O15264 6/20 0.53
MAPK12 P53778 6/20 0.53
MAPK11 Q15759 6/20 0.53
GCGR P47871 1/20 0.46
GSK3A P49840 4/20 0.46
GSK3B P49841 4/20 0.46
CDK2 P24941 2/20 0.46
JAK2 O60674 1/20 0.46
PIM1 P11309 1/20 0.46
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCQ Q04759 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAPK10 P53779 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL7211879 0.91 PTGS2 (0.60) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL27504074 0.81 PTGS2 (0.54) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7471698 0.81 MEN1 (0.48) JAK2TYK2NPC1RAB9AKDM4E
SCHEMBL7215273 0.81 PTGS2 (0.53) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210164 0.80 PTGS2 (0.49) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216156 0.78 PTGS2 (0.59) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210237 0.78 MAPK13 (0.50) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210156 0.77 PTGS2 (0.51) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7212196 0.76 MERTK (0.51) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7215223 0.75 PTGS2 (0.71) PTGS2MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed