Sugi Predict

Sugi Predict / Compounds / SCHEMBL5777788

SCHEMBL5777788

SCHEMBL5777788

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)N[C@@H](C)c4ccccc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 17/20 0.45
▸ MAPK14 Q16539 3/20 0.43

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
SCHEMBL5779497 0.94 BRAF (0.43) BRAFMAPK14
SCHEMBL5778687 0.93 MAPK14 (0.43) BRAFMAPK14
SCHEMBL5778016 0.91 BRAF (0.43) BRAFMAPK14
SCHEMBL5779375 0.91 BRAF (0.36) BRAFMAPK14
SCHEMBL5777487 0.91 BRAF (0.43) BRAFMAPK14
SCHEMBL5778570 0.90 BRAF (0.47) BRAFMAPK14
SCHEMBL5778315 0.90 BRAF (0.47) BRAFMAPK14
SCHEMBL5775591 0.90 BRAF (0.43) BRAFMAPK14
SCHEMBL13757136 0.90 BRAF (0.46) BRAFMAPK14
SCHEMBL13757173 0.90 BRAF (0.46) BRAFMAPK14

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
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 — — EP claimed