SCHEMBL6581283

SCHEMBL6581283

CSc1ccccc1CSc1nc(-c2ccccn2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.52
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
EGFR P00533 1/20 0.46
KCNH2 Q12809 1/20 0.46
GSK3B P49841 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL4474856 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6579242 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6582216 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6582166 0.84 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6579341 0.83 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6579637 0.81 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6579519 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6581503 0.77 PTGS1 (0.60) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581555 0.77 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581589 0.75 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GSK3B

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-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP claimed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US claimed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed