SCHEMBL6294332

SCHEMBL6294332

CSc1ccc(-c2cncn2-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
MAPK13 O15264 6/20 0.54
MAPK12 P53778 6/20 0.54
MAPK11 Q15759 6/20 0.54
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
GCGR P47871 7/20 0.43
PTGS1 P23219 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
ALOX5 P09917 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MATK P42679 1/20 0.39
FRK P42685 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 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
SCHEMBL6291171 0.87 HSP90AA1 (0.45) MAPK14MAPK13MAPK12MAPK11HSP90AA1
SCHEMBL6294273 0.85 FGFR1 (0.46) MAPK14MAPK13MAPK12MAPK11HSP90AA1
SCHEMBL6291235 0.81 PTGS2 (0.59) PTGS1PTGS2
SCHEMBL19953122 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1CYP11B1CYP11B2FLT3
SCHEMBL25611833 0.80 FLT3 (0.47) MAPK14MAPK13MAPK12MAPK11HSP90AA1
SCHEMBL10773460 0.80 FLT3 (0.55) MAPK14MAPK13MAPK12MAPK11HSP90AA1
SCHEMBL6180422 0.77 HSP90AA1 (0.44) HSP90AA1HSP90AB1PTGS1CYP11B1CYP11B2
SCHEMBL6180979 0.77 PTGS2 (0.63) PTGS1PTGS2
SCHEMBL6294248 0.77 PTGS2 (0.63) PTGS1PTGS2
SCHEMBL6178361 0.77 HSP90AA1 (0.40) MAPK14MAPK13MAPK12MAPK11HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP disclosed