SCHEMBL6773364

SCHEMBL6773364

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
CD274 Q9NZQ7 1/20 0.41
EPHX2 P34913 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
MCHR1 Q99705 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 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
SCHEMBL6772992 0.94 HDAC3 (0.40) RXFP1CD274EPHX2MAPTALDH1A1
SCHEMBL6773253 0.90 GAA (0.41) CD274MAPTALDH1A1GAAKDM4E
SCHEMBL6780200 0.89 ALDH1A1 (0.50) RXFP1MAPTALDH1A1GAAPOLB
SCHEMBL6780394 0.88 TRPV1 (0.47) EPHX2MAPTMCHR1TLR7HDAC3
SCHEMBL6774657 0.87 MAPT (0.49) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL6777601 0.87 MEN1 (0.48) EPHX2KDM4E
SCHEMBL6768729 0.87 TLR7 (0.47) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL6771355 0.86 POLB (0.47) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL6773386 0.84 TP53BP1 (0.49) RXFP1MAPTALDH1A1GAAPOLB
SCHEMBL6774104 0.84 POLB (0.44) GAAPOLBTP53NPC1TLR7

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