SCHEMBL28043516

SCHEMBL28043516

COCN(c1cccc(-c2nn(C3CCN(OC(=O)C(C)(C)C)CC3)cc2-c2ccnc(NC(C)(C)C)c2)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.36
EGFR P00533 1/20 0.33
MAPK8 P45983 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
NR1I2 O75469 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
TGFBR1 P36897 2/20 0.30
KDR P35968 1/20 0.30
MAPK14 Q16539 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
SCHEMBL575031 0.92 BRAF (0.36) BRAFEGFRMAPK8MAPK9MAPK10
SCHEMBL574904 0.92 BRAF (0.38) BRAFEGFRMAPK8MAPK9MAPK10
SCHEMBL574445 0.91 BRAF (0.36) BRAFEGFR
SCHEMBL28043500 0.91 EGFR (0.38) BRAFEGFR
SCHEMBL15191846 0.90 BRAF (0.35) BRAFEGFRMAPK8MAPK9MAPK10
SCHEMBL15191461 0.90 BRAF (0.35) BRAFEGFRMAPK8MAPK9MAPK10
SCHEMBL28043303 0.86 BRAF (0.35) BRAFMAPK14
SCHEMBL15191754 0.84 BRAF (0.38) BRAFMAPK8MAPK9MAPK10
SCHEMBL15192242 0.83 EGFR (0.36) BRAFEGFR
SCHEMBL574377 0.83 MAPK8 (0.35) BRAFMAPK8MAPK9MAPK10PIK3C3

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 1 patent. 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