SCHEMBL17296643

SCHEMBL17296643

COCN(c1cccc(-c2nc(C3CCOCC3)sc2-c2ccnc(NC(=O)OC(C)(C)C)c2)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.51
NR1I2 O75469 6/20 0.42
TGFBR1 P36897 1/20 0.36
EGFR P00533 5/20 0.35
MAPK8 P45983 2/20 0.34
RAF1 P04049 1/20 0.34
ERBB2 P04626 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
MAPK9 P45984 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL17296644 0.93 BRAF (0.60) BRAFNR1I2EGFRMAPK8RAF1
SCHEMBL12482309 0.88 BRAF (0.50) BRAFNR1I2TGFBR1EGFRMAPK8
SCHEMBL17297171 0.88 BRAF (0.51) BRAFNR1I2EGFRMAPK8RAF1
SCHEMBL17296639 0.88 BRAF (0.45) BRAFNR1I2EGFRMAPK8RAF1
SCHEMBL12483012 0.87 BRAF (0.48) BRAFNR1I2EGFRMAPK8RAF1
SCHEMBL17296635 0.86 BRAF (0.43) BRAFNR1I2EGFR
SCHEMBL12482308 0.86 BRAF (0.47) BRAFNR1I2TGFBR1EGFRMAPK8
SCHEMBL17685154 0.86 BRAF (0.60) BRAFNR1I2PIK3C3MAPK14
SCHEMBL17296645 0.85 BRAF (0.72) BRAFNR1I2EGFRMAPK8RAF1
SCHEMBL17296636 0.82 BRAF (0.46) BRAFNR1I2

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
EP-2678336-B1 THIAZOLYLPHENYL-BENZENESULFONAMIDO DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-04-20 EP disclosed
US-9199979-B2 Thiazolylphenyl-benzenesulfonamido derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-12-01 US disclosed
US-9199979-B2 Thiazolylphenyl-benzenesulfonamido derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-12-01 US disclosed