SCHEMBL5779078

SCHEMBL5779078

COc1c(N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(OC(=O)NCC(C)(C)C)nn2)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.37
NR1I2 O75469 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
GPR142 Q7Z601 1/20 0.34

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
SCHEMBL1404811 0.94 BRAF (0.38) BRAFNR1I2GPR142
SCHEMBL1404576 0.92 BRAF (0.39) BRAFNR1I2
SCHEMBL1404902 0.91 BRAF (0.36) BRAFGPR142
SCHEMBL1404662 0.89 MAPK14 (0.38) BRAF
SCHEMBL1404647 0.89 BRAF (0.36) BRAF
SCHEMBL1404669 0.89 BRAF (0.36) BRAFGPR142
SCHEMBL1404608 0.89 BRAF (0.35) BRAFNR1I2GPR142
SCHEMBL1404961 0.88 BRAF (0.36) BRAF
SCHEMBL1404758 0.88 BRAF (0.37) BRAF
SCHEMBL1404725 0.88 BRAF (0.38) BRAFGPR142

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