SCHEMBL8284616

SCHEMBL8284616

Cc1ccc2nc(N)n(Cc3nc(C)c(C)nc3C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.57
▸ KCNH2 Q12809 1/20 0.41
▸ SOS1 Q07889 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NCK1 P16333 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ TNF P01375 2/20 0.38
▸ NOD2 Q9HC29 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ CXCL8 P10145 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ PDE10A Q9Y233 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
SCHEMBL8284620 0.84 SOS1 (0.41) TLR8SOS1HTTCYP1A2CYP2D6
SCHEMBL8284629 0.83 TLR8 (0.40) TLR8SOS1HTTCYP1A2CYP2D6
SCHEMBL23295600 0.78 TLR8 (0.58) TLR8KCNH2SOS1HTTTNF
SCHEMBL12226896 0.78 PDE2A (0.47) CYP1A2KMT2AALDH1A1PDE10A
SCHEMBL8283862 0.78 TLR8 (0.37) TLR8KCNH2SOS1ACSS2TNF
SCHEMBL8284617 0.76 RPS6KA5 (0.47) TLR8SOS1HTTCYP1A2CYP2D6
SCHEMBL8284623 0.75 HTT (0.40) TLR8SOS1HTTCYP1A2CYP2D6
SCHEMBL2335115 0.74 TLR8 (0.91) TLR8HTTCYP1A2CYP2D6POLB
SCHEMBL21310823 0.72 TLR8 (0.58) TLR8KCNH2HTTCYP1A2CYP2D6
SCHEMBL16512956 0.72 TLR8 (1.00) TLR8POLBTLR7CXCR4

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-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — WO disclosed
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