SCHEMBL7215273

SCHEMBL7215273

CCNc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 8/20 0.51
CASP1 P29466 8/20 0.51
CASP7 P55210 8/20 0.51
CYP1A2 P05177 7/20 0.51
USP2 O75604 7/20 0.51
HSD17B10 Q99714 7/20 0.51
HIF1A Q16665 7/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
TSHR P16473 3/20 0.51
ALOX15 P16050 3/20 0.51
LMNA P02545 3/20 0.51
GLA P06280 1/20 0.51
MAPK13 O15264 7/20 0.50
MAPK12 P53778 7/20 0.50
MAPK11 Q15759 7/20 0.50
MAPK14 Q16539 7/20 0.50
MAPK10 P53779 1/20 0.46
CYP2D6 P10635 4/20 0.46

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
SCHEMBL7212196 0.87 MERTK (0.51) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL5451875 0.86 ADORA1 (0.57) PTGS2ALDH1A1CASP1CASP7CYP1A2
SCHEMBL7210164 0.86 PTGS2 (0.49) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL5448826 0.85 ADORA1 (0.53) PTGS2ALDH1A1CASP1CASP7CYP1A2
SCHEMBL7211775 0.85 PTGS2 (0.48) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7210496 0.85 MAPK14 (0.47) PTGS2ALDH1A1CASP1CASP7CYP1A2
SCHEMBL7210216 0.84 PTGS2 (0.48) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7216156 0.84 PTGS2 (0.59) PTGS2MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL7210504 0.84 PTGS2 (0.47) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7215223 0.84 PTGS2 (0.71) PTGS2ALDH1A1HSD17B10TSHRALOX15

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