SCHEMBL16259137

SCHEMBL16259137

Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc(N)c1N=NN

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.57
JAK2 O60674 1/20 0.41
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
ERN1 O75460 1/20 0.36
ATAD2 Q6PL18 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
SCHEMBL16225282 0.83 BRD4 (0.64) BRD4JAK2BRD2BRD3ERN1
SCHEMBL16259130 0.77 ERN1 (0.42) BRD4JAK2BRD2BRD3ERN1
SCHEMBL17698648 0.73 BRD4 (0.67) BRD4JAK2BRD2BRD3
SCHEMBL16225315 0.73 BRD4 (1.00) BRD4JAK2BRD2BRD3
SCHEMBL16230878 0.73 BRD4 (0.69) BRD4JAK2BRD2BRD3
SCHEMBL16259269 0.70 ATAD2 (0.56) BRD4BRD2ERN1ATAD2
SCHEMBL16259213 0.70 ERN1 (0.55) BRD4BRD2BRD3ERN1ATAD2
SCHEMBL16226222 0.70 BRD4 (0.68) BRD4JAK2BRD2BRD3
SCHEMBL16110369 0.70 BRD4 (0.65) BRD4JAK2BRD2BRD3
SCHEMBL16225464 0.69 BRD4 (0.51) BRD4JAK2BRD2BRD3ERN1

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-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 WO disclosed