SCHEMBL20632126

SCHEMBL20632126

C=C(Nc1cccc2nccnc12)N(CCCCC)c1nc(-c2cccc(C(C)(F)F)c2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ SYK P43405 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ MEF2D Q14814 1/20 0.30

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
SCHEMBL20632107 0.83 TLR8 (0.35) TLR8HDAC4MEF2D
SCHEMBL20632765 0.83 TLR8 (0.34) TLR8
SCHEMBL20632115 0.83 TLR8 (0.38) TLR8HDAC4MEF2D
SCHEMBL20632264 0.81 TLR8 (0.40) TLR8HDAC4MEF2D
SCHEMBL20631622 0.80 MEN1 (0.36) TLR8HDAC4MEF2D
SCHEMBL20632097 0.80 MPL (0.35) TLR8
SCHEMBL20632508 0.80 NPSR1 (0.35) TLR8
SCHEMBL20633090 0.80 TLR8 (0.35) TLR8HDAC4
SCHEMBL20632633 0.80 TLR8 (0.34) TLR8HDAC4MEF2D
SCHEMBL20632322 0.79 ALOX15 (0.41) TLR8SYK

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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