SCHEMBL6773965

SCHEMBL6773965

Cc1nc(N)c2nc(C)n(CCCNC(=O)c3ccc(Cl)nc3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
DGAT1 O75907 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6774081 0.94 RAB9A (0.44) BRD4RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6775047 0.87 TLR7 (0.44) BRD4RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6774104 0.85 POLB (0.44) RAB9ANPC1KMT2AMEN1TLR7
SCHEMBL6768544 0.83 NPC1 (0.49) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL6772992 0.83 HDAC3 (0.40) SMN1; SMN2ALDH1A1TLR7
SCHEMBL6773853 0.83 NOS3 (0.46) ALDH1A1KDM4EDRD3TLR7
SCHEMBL6779944 0.83 HDAC3 (0.48) DRD2DRD3
SCHEMBL6773275 0.80 TRPV1 (0.43) BRD4TLR7
SCHEMBL6094589 0.79 DYRK1A (0.37) KDM4ETLR7
SCHEMBL6773253 0.79 GAA (0.41) ALDH1A1KDM4E

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed