SCHEMBL4790367

SCHEMBL4790367

CCCn1nc2c(Nc3ccccc3)nc3ccccc3c2c1CC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.39
HTR4 Q13639 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CSNK2A1 P68400 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KHK P50053 1/20 0.35
MERTK Q12866 1/20 0.35
PDE5A O76074 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HTR2A P28223 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
SCHEMBL4126730 0.84 TLR7 (0.41) HTR4
Hydrochloric Acid SCHEMBL4519043 0.74 KHK (0.41) HTR4KHKMERTK
SCHEMBL1776461 0.73 TLR7 (0.50)
SCHEMBL12667231 0.69 TLR7 (0.42) HTR4KHKMERTK
SCHEMBL1233720 0.67 TLR7 (0.40) ADORA3ADORA2A
SCHEMBL1232410 0.66 TLR7 (0.51) ADORA3ADORA2AADORA1MAPK1
SCHEMBL4532570 0.65 TLR8 (0.40) MAPK1
SCHEMBL728724 0.65 MAPT (0.38) MAPK1
SCHEMBL1232558 0.65 TLR7 (0.46) ADORA3ADORA2AADORA1MAPK1
SCHEMBL1233718 0.64 TLR7 (0.37)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988896-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2008-11-12 EP disclosed
WO-2007100634-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-07 WO disclosed