SCHEMBL6774104

SCHEMBL6774104

Cc1nc(N)c2nc(C)n(CCCNC(=O)c3ccc(F)cc3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.42
TLR7 Q9NYK1 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38

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
SCHEMBL6773253 0.94 GAA (0.41) POLBTP53GAAHTTABL1
SCHEMBL6772992 0.90 HDAC3 (0.40) TP53TLR7GAAHTTHDAC3
SCHEMBL6768544 0.88 NPC1 (0.49) POLBTP53MEN1KMT2ANPC1
SCHEMBL6773853 0.87 NOS3 (0.46) POLBTLR7GAAHDAC3HDAC1
SCHEMBL6773275 0.87 TRPV1 (0.43) TLR7HDAC3HDAC1
SCHEMBL6778937 0.86 TLR7 (0.42) POLBTP53TLR7GAAMEN1
SCHEMBL6773965 0.85 BRD4 (0.44) TLR7MEN1KMT2ANPC1RAB9A
SCHEMBL6779944 0.85 HDAC3 (0.48) HDAC3HDAC1
SCHEMBL6773364 0.84 RXFP1 (0.43) POLBTP53TLR7GAANPC1
SCHEMBL6774657 0.83 MAPT (0.49) POLBTP53TLR7GAAMEN1

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