SCHEMBL2359768

SCHEMBL2359768

CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC)S(=O)(=O)c3cccc(F)c3)c2F)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.35
MAPK8 P45983 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
HCRTR2 O43614 1/20 0.32
PTGS2 P35354 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EGFR P00533 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL2358612 0.93 HCRTR2 (0.35) BRAFMAPK8MAPK3MAPK1HCRTR2
SCHEMBL2359353 0.92 BRAF (0.31) BRAFMAPK8MAPK3MAPK1HCRTR2
SCHEMBL2356909 0.92 BRAF (0.34) BRAFMAPK8MAPK3MAPK1HCRTR2
SCHEMBL14108512 0.91 PTGS2 (0.34) BRAFMAPK8ADORA3ADORA2AADORA2B
SCHEMBL2315626 0.91 BRAF (0.33) BRAFMAPK8ADORA3ADORA2AADORA2B
SCHEMBL2357132 0.89 BRAF (0.34) BRAFMAPK3MAPK1PTGS2
SCHEMBL2318038 0.89 HCRTR2 (0.36) BRAFMAPK8ADORA3ADORA2AADORA2B
SCHEMBL2319762 0.87 ACLY (0.35) BRAFMAPK8MAPK3MAPK1HCRTR2
SCHEMBL2359667 0.87 BRAF (0.34) BRAFMAPK3MAPK1PTGS2
SCHEMBL17836528 0.86 BRAF (0.33) BRAFMAPK8MAPK3MAPK1HCRTR2

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
WO-2011092088-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 WO claimed
WO-2011092088-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 WO disclosed