SCHEMBL6780666

SCHEMBL6780666

Cc1nc(N)c2nc(C)n(CCNC(=O)NC(C)(C)C)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1H O95180 7/20 0.34
CYP2D6 P10635 5/20 0.34
KCNH2 Q12809 4/20 0.34
MAPT P10636 1/20 0.33
BRD4 O60885 4/20 0.33
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL6110335 0.84 KDM4E (0.39) TLR7CYP2D6KDM4E
SCHEMBL6777793 0.84 PKM (0.35) TLR7BRD4
SCHEMBL6777224 0.84 EPHX1 (0.37) TLR7MAPTKDM4EDRD2DRD3
SCHEMBL6783545 0.83 PPID (0.40) TLR7KDM4E
Hydrochloric Acid SCHEMBL6110768 0.83 KDM4E (0.38) TLR7CYP2D6KDM4E
SCHEMBL6283619 0.81 TLR7 (0.32) TLR7
SCHEMBL6096758 0.81 MEN1 (0.42) TLR7SMN1; SMN2MAPTBRD4KDM4E
SCHEMBL6776784 0.80 ALDH1A1 (0.48) TLR7SMN1; SMN2KDM4ENPSR1
SCHEMBL6284008 0.79 TLR7 (0.33) TLR7MAPT
SCHEMBL6782629 0.79 EPHX1 (0.42) RAB9ASMN1; SMN2MAPTKDM4E

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