SCHEMBL27908263

SCHEMBL27908263

CCn1cc(-c2ccncc2)c(-c2cccc(CC(C)(C)OC(N)=O)c2F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.36
MAPK3 P27361 2/20 0.36
MAPK1 P28482 2/20 0.36
ACVR1 Q04771 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK13 O15264 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL15192238 0.77 CYP17A1 (0.40) BRAFMAPK3MAPK1IRAK4CYP2D6
SCHEMBL27908264 0.77 BRAF (0.40) BRAFMAPK3MAPK1CYP2D6CYP2C9
SCHEMBL574873 0.76 BRAF (0.42) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL14108526 0.74 BRAF (0.35) BRAFMAPK3MAPK1ACVR1IRAK4
SCHEMBL28039527 0.73 BRAF (0.34) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL10216183 0.71 BRAF (0.42) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL14108524 0.70 BRAF (0.35) BRAFMAPK3MAPK1ACVR1
SCHEMBL15192043 0.67 PIK3CA (0.43) BRAF
SCHEMBL2357717 0.67 BRAF (0.34) BRAFMAPK3MAPK1CYP2D6CYP2C9
SCHEMBL14108513 0.67 PTGS2 (0.35) BRAFMAPK3MAPK1MAPK13CSNK1D

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
CN-103153980-B Derivatives of pyrazolophenylbenzenesulfonamide compounds and their use as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-12-16 CN disclosed
CN-103153980-A Derivatives of pyrazolophenylbenzenesulfonamide compounds and their use as antitumor agents NERVIANO MEDICAL SCIENCES SRL 2013-06-12 CN disclosed