SCHEMBL6776089

SCHEMBL6776089

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.44
TLR7 Q9NYK1 2/20 0.44
TLR8 Q9NR97 1/20 0.44
HTR2A P28223 6/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6781852 0.88 CCR3 (0.42) CCR3TLR7HTR2ANPC1RAB9A
SCHEMBL6776742 0.88 CCR3 (0.48) CCR3HTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL6776452 0.88 TLR7 (0.46) TLR7TLR8MAPT
SCHEMBL6768596 0.88 MCHR1 (0.47) TLR7TLR8
SCHEMBL6777586 0.88 PKM (0.47) CCR3TLR7HTR2ANPC1RAB9A
SCHEMBL6773021 0.87 CCR3 (0.41) CCR3TLR7TLR8SMN1; SMN2MAPT
SCHEMBL6782531 0.86 CCR3 (0.42) CCR3TLR7TLR8HTR2ANPC1
SCHEMBL6782943 0.85 CCR3 (0.43) CCR3TLR7TLR8HTR2ANPC1
SCHEMBL30345279 0.84 TLR8 (0.53) TLR7TLR8
SCHEMBL483357 0.84 TLR8 (0.53) TLR7TLR8

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
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed