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Sugi Predict / Compounds / SCHEMBL4061307

SCHEMBL4061307

SCHEMBL4061307

CN(C)S(=O)(=O)c1cccc(-c2ccnc3c(-c4cccc5[nH]c(=O)[nH]c45)c(-c4ccncc4)nn23)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.43
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ RET P07949 1/20 0.38
▸ EPHA1 P21709 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL4061796 0.86 BRAF (0.47) BRAFABL1EGFRRAF1LCK
SCHEMBL13691828 0.85 BRAF (0.43) BRAFABL1EGFRRAF1LCK
SCHEMBL4053487 0.84 BRAF (0.61) BRAFABL1EGFRRAF1LCK
SCHEMBL4053209 0.79 BRAF (0.49) BRAFABL1MAPK14
SCHEMBL4056069 0.79 BRAF (0.56) BRAFABL1MAPK14
SCHEMBL4058317 0.78 BRAF (0.57) BRAFABL1MAPK14
SCHEMBL4050893 0.78 PI4KB (0.41) BRAFABL1MAPK14
SCHEMBL4059789 0.77 BRAF (0.51) BRAFABL1MAPK14
SCHEMBL4052857 0.77 BRAF (0.47) BRAF
SCHEMBL4053315 0.76 BRAF (0.54) BRAFABL1MAPK14

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
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 — — WO disclosed