SCHEMBL8501210

SCHEMBL8501210

CN(CCc1ccccc1)c1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1.Fc1ccc(-c2cnc(NCCc3ccccc3)nc2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
PTGS1 P23219 2/20 0.42
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
MAPK14 Q16539 5/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
GCGR P47871 1/20 0.40
MAPK10 P53779 1/20 0.39
ADORA1 P30542 2/20 0.39
HTR7 P34969 1/20 0.39
ADORA2A P29274 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7210591 0.91 PTGS2 (0.49) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7215116 0.89 PTGS2 (0.58) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7210237 0.83 MAPK13 (0.50) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7210277 0.83 PTGS2 (0.56) PTGS2PTGS1MAPK13MAPK12MAPK11
Dimethylamine SCHEMBL7210227 0.82 PTGS2 (0.56) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7210483 0.82 PTGS2 (0.55) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7210513 0.80 MAPK14 (0.47) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7210216 0.80 PTGS2 (0.48) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL8502066 0.79 PTGS2 (0.48) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7215223 0.79 PTGS2 (0.71) PTGS2PTGS1MAPK13MAPK12MAPK11

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-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