SCHEMBL16259223

SCHEMBL16259223

Cc1noc(C)c1-c1cc(I)c(N)c(N=NN)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
BRD4 O60885 14/20 0.41
ATAD2 Q6PL18 1/20 0.40
BRD2 P25440 2/20 0.40
BRD3 Q15059 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL16259130 0.81 ERN1 (0.42) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16110425 0.80 BRD4 (0.48) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16140179 0.73 BRD4 (0.64) BRD4BRD2BRD3
SCHEMBL16110579 0.72 ERN1 (0.56) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16259169 0.71 BRD4 (0.54) ERN1BRD4BRD2
SCHEMBL16110759 0.69 BRD4 (0.44) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL20362718 0.67 BRD4 (0.49) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL9932071 0.67 BRD4 (0.57) ERN1BRD4BRD2BRD3
SCHEMBL16110198 0.67 BRD4 (0.41) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16225571 0.67 BRD4 (0.64) BRD4JAK2

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