SCHEMBL1998194

SCHEMBL1998194

Cc1cnc(N)nc1NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
NUDT1 P36639 3/20 0.54
TLR8 Q9NR97 5/20 0.49
TLR7 Q9NYK1 5/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
F2 P00734 2/20 0.47
SLC29A1 Q99808 1/20 0.47

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
SCHEMBL21460559 0.82 APP (0.57) APPKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1998196 0.79 KDM4E (0.49) APPNUDT1TLR8TLR7KDM4E
SCHEMBL20219465 0.75 L3MBTL1 (0.61) NUDT1TLR8TLR7
SCHEMBL17035546 0.74 TLR8 (0.62) TLR8TLR7
SCHEMBL29695687 0.73 BCL6 (0.66) NUDT1
SCHEMBL1319424 0.73 BCL6 (0.66) NUDT1
SCHEMBL23472149 0.73 TLR8 (0.61) TLR8TLR7
SCHEMBL6414963 0.73 TLR7 (0.58) APPTLR8TLR7
SCHEMBL18072502 0.72 NUDT1 (0.53) NUDT1TLR8TLR7SMN1; SMN2NPC1
SCHEMBL557825 0.72 APP (0.51) APPNUDT1NPC1RAB9ASLC29A1

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-2011076878-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS PALAU PHARMA, S.A. (ES) 2011-06-30 WO disclosed