SCHEMBL17296642

SCHEMBL17296642

COCN(c1cccc(-c2nc(C3CCN(C(=O)OCc4ccccc4)CC3)sc2-c2ccnc(Cl)c2)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.46
NR1I2 O75469 5/20 0.41
TRPC3 Q13507 2/20 0.36
TRPC7 Q9HCX4 2/20 0.36
ENPP2 Q13822 3/20 0.34
EGFR P00533 1/20 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
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
GRIN2B Q13224 1/20 0.33
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ACLY P53396 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
SCHEMBL17296648 0.93 BRAF (0.45) BRAFNR1I2TRPC3TRPC7ENPP2
SCHEMBL17296647 0.92 BRAF (0.57) BRAFNR1I2TRPC3TRPC7EGFR
SCHEMBL12482309 0.91 BRAF (0.50) BRAFNR1I2TRPC3TRPC7EGFR
SCHEMBL12482635 0.89 BRAF (0.43) BRAFNR1I2TRPC3TRPC7EGFR
SCHEMBL17296641 0.87 BRAF (0.57) BRAFNR1I2EGFRRAF1ERBB2
SCHEMBL17685240 0.87 BRAF (0.44) BRAFNR1I2EGFRRAF1ERBB2
SCHEMBL17296639 0.85 BRAF (0.45) BRAFNR1I2EGFRRAF1ERBB2
SCHEMBL12482316 0.84 TRPC3 (0.41) TRPC3TRPC7ENPP2GRIN2BGUCY1A1
SCHEMBL17296636 0.83 BRAF (0.46) BRAFNR1I2
SCHEMBL12482620 0.81 BRAF (0.50) BRAFNR1I2EGFRRAF1ERBB2

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