SCHEMBL6772992

SCHEMBL6772992

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPT P10636 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
BTK Q06187 1/20 0.38
DPP4 P27487 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MCHR1 Q99705 1/20 0.37
TP53 P04637 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
SCHEMBL6773364 0.94 RXFP1 (0.43) HDAC3HDAC1MAPTALDH1A1LMNA
SCHEMBL6774104 0.90 POLB (0.44) HDAC3HDAC1GAAHTTTLR7
SCHEMBL6773386 0.90 TP53BP1 (0.49) HDAC3HDAC1MAPTNAMPTALDH1A1
SCHEMBL6773275 0.89 TRPV1 (0.43) HDAC3HDAC1EPHX2TLR7MCHR1
SCHEMBL6774495 0.86 TLR7 (0.43) TLR7MCHR1
SCHEMBL6768544 0.86 NPC1 (0.49) HDAC3HDAC1MAPTNAMPTALDH1A1
SCHEMBL6773853 0.85 NOS3 (0.46) HDAC3HDAC1TMEM97SIGMAR1NAMPT
SCHEMBL6780200 0.84 ALDH1A1 (0.50) HDAC3HDAC1MAPTNAMPTALDH1A1
SCHEMBL6773253 0.84 GAA (0.41) MAPTNAMPTALDH1A1LMNAGAA
SCHEMBL6773965 0.83 BRD4 (0.44) ALDH1A1SMN1; SMN2TLR7

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