SCHEMBL28043500

SCHEMBL28043500

COCN(c1cccc(-c2nn(C3CCN(OC(=O)C(C)(C)C)CC3)cc2-c2ccncc2)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.38
BRAF P15056 2/20 0.32
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
ERBB2 P04626 1/20 0.31
BMX P51813 1/20 0.31
BTK Q06187 1/20 0.31
ERBB4 Q15303 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
SCHEMBL28043516 0.91 BRAF (0.36) EGFRBRAF
SCHEMBL574504 0.90 EGFR (0.37) EGFRBRAF
SCHEMBL15191744 0.90 EGFR (0.41) EGFRBTK
SCHEMBL15192202 0.90 EGFR (0.42) EGFRBRAFERBB2BMXBTK
SCHEMBL15191983 0.90 EGFR (0.38) EGFRBRAFMAPK3MAPK1
SCHEMBL575019 0.87 KDM1A (0.37) EGFRBRAFMAPK3MAPK1
SCHEMBL15192073 0.87 BRAF (0.36) EGFRBRAFMAPK3MAPK1
SCHEMBL28043303 0.86 BRAF (0.35) BRAF
SCHEMBL15192242 0.83 EGFR (0.36) EGFRBRAF
SCHEMBL574508 0.82 GPR119 (0.36) EGFRBTK

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