SCHEMBL20632508

SCHEMBL20632508

C=C(Nc1cnccn1)N(CCCCC)c1nc(-c2cccc(C(C)(C)F)c2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ SIRT2 Q8IXJ6 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
▸ BCR P11274 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ MITF O75030 2/20 0.31
▸ NOD1 Q9Y239 2/20 0.31
▸ LMNA P02545 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
SCHEMBL20632322 0.94 ALOX15 (0.41) NPSR1ALOX15TSHRCASP1HSD17B10
SCHEMBL20632097 0.89 MPL (0.35) TLR8
SCHEMBL20632467 0.87 XBP1 (0.30) NPSR1MITFNOD1XBP1NPC1
SCHEMBL20632945 0.86 NPSR1 (0.32) NPSR1ALOX15TSHRCASP1HSD17B10
SCHEMBL20631544 0.84 WNT3A (0.37) ABL1PDGFRBSRCPDGFRAPRKCA
SCHEMBL20632765 0.82 TLR8 (0.34) TLR8
SCHEMBL20632399 0.82 TLR8 (0.41) TLR8PIK3CDPIK3CAPIK3CG
SCHEMBL20631655 0.81 CHRNB2 (0.32) NPSR1ABL1PDGFRBSRCPDGFRA
SCHEMBL20632126 0.80 TLR8 (0.34) TLR8
SCHEMBL20632360 0.80 USP7 (0.33) ABL1PIK3CGALDH1A1

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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