SCHEMBL6776787

SCHEMBL6776787

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
DOT1L Q8TEK3 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
TLR8 Q9NR97 2/20 0.38
EPHX2 P34913 2/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.38
RAF1 P04049 1/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CCR3 P51677 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX5 P09917 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL6775234 0.90 TLR7 (0.44) TLR7TLR8
SCHEMBL6779814 0.89 FAAH (0.47) KMT2AMAPTTLR7TLR8FAAH
SCHEMBL6773645 0.88 HDAC3 (0.44) MAPTTLR7TLR8FAAHCCR3
SCHEMBL6779540 0.87 MAPT (0.44) KMT2AMAPTTLR7TLR8FAAH
SCHEMBL6782683 0.85 MEN1 (0.44) MEN1KMT2AMAPTDOT1LTLR7
SCHEMBL6777954 0.84 TLR7 (0.41) KMT2AMAPTTLR7TLR8
SCHEMBL6782550 0.83 TLR7 (0.40) KMT2AMAPTTLR7TLR8FAAH
SCHEMBL6782828 0.83 TLR7 (0.41) TLR7TLR8
SCHEMBL6777013 0.83 TLR7 (0.44) TLR7TLR8
SCHEMBL6783227 0.83 TLR7 (0.39) 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