SCHEMBL14247802

SCHEMBL14247802

N#CCCCn1c(N)nc2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ KMT2A Q03164 1/20 0.42
▸ BACE1 P56817 2/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL14247313 0.82 TLR8 (0.51) TLR8CXCR4KMT2ABACE1NUDT1
SCHEMBL14247241 0.82 BACE1 (0.58) TLR8CXCR4KMT2ABACE1NUDT1
SCHEMBL14247443 0.79 KMT2A (0.47) TLR8CXCR4KMT2ABACE1NUDT1
SCHEMBL14247515 0.79 KMT2A (0.47) TLR8CXCR4KMT2ABACE1NUDT1
SCHEMBL14247558 0.77 CXCR4 (0.52) TLR8CXCR4KMT2ABACE1POLB
Hydrochloric Acid SCHEMBL14247462 0.77 KMT2A (0.46) TLR8CXCR4KMT2ABACE1NUDT1
SCHEMBL14247506 0.76 TLR8 (0.46) TLR8CXCR4KMT2ABACE1NUDT1
SCHEMBL14247624 0.75 TLR8 (0.47) TLR8CXCR4KMT2ABACE1POLB
SCHEMBL14247207 0.74 ALOX15 (0.47) TLR8CXCR4KMT2ALMNAHSD17B10
SCHEMBL14247475 0.74 TLR8 (0.44) TLR8CXCR4KMT2ABACE1NUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 — — WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 — — WO disclosed
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