SCHEMBL13848809

SCHEMBL13848809

COc1c(N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(N2C=C(c3ccc(NCC4CC4)nc3)NN2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.36
LYN P07948 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 2/20 0.35
HDAC1 Q13547 1/20 0.35
EPHA3 P29320 1/20 0.35
FRK P42685 1/20 0.35

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
SCHEMBL13848802 0.91 BRAF (0.37) BRAFLYNMAPK9MAPK14
SCHEMBL13887477 0.90 LYN (0.47) BRAFLYNMAPK9
SCHEMBL13887435 0.90 MAPK14 (0.39) BRAFLYNMAPK9MAPK14EPHA3
SCHEMBL13848893 0.87 MAPK14 (0.38) BRAFMAPK14EPHA3FRK
SCHEMBL13848734 0.84 MAPK14 (0.39) BRAFMAPK14EPHA3FRK
SCHEMBL13848947 0.81 LYN (0.56) BRAFLYNMAPK9
SCHEMBL13848824 0.80 BRAF (0.47) BRAF
SCHEMBL13848778 0.80 BRAF (0.38) BRAF
SCHEMBL13887490 0.79 BRAF (0.49) BRAFLYNMAPK9
SCHEMBL13848736 0.79 BRAF (0.48) BRAFLYNMAPK9

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-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed