SCHEMBL20632107

SCHEMBL20632107

C=C(Nc1ccnc(C)c1)N(CCCCC)c1nc(-c2cccc(C(C)(F)F)c2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.35
▸ HDAC4 P56524 1/20 0.32
▸ MEF2D Q14814 1/20 0.32
▸ ABL1 P00519 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ CNR1 P21554 3/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL20633090 0.84 TLR8 (0.35) TLR8HDAC4
SCHEMBL20632126 0.83 TLR8 (0.34) TLR8HDAC4MEF2D
SCHEMBL20632633 0.83 TLR8 (0.34) TLR8HDAC4MEF2D
SCHEMBL20632115 0.83 TLR8 (0.38) TLR8HDAC4MEF2DCNR1
SCHEMBL20632349 0.83 TLR8 (0.35) TLR8HDAC4MEF2DEPHB4CNR1
SCHEMBL20631622 0.82 MEN1 (0.36) TLR8HDAC4MEF2D
SCHEMBL20631964 0.82 TLR8 (0.36) TLR8SRCCNR1
SCHEMBL20632264 0.82 TLR8 (0.40) TLR8HDAC4MEF2D
SCHEMBL20632765 0.82 TLR8 (0.34) TLR8CNR1
SCHEMBL20632097 0.79 MPL (0.35) TLR8EPHB4

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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