SCHEMBL3544776

SCHEMBL3544776

Cn1cnc2c(N)nc3cc(-c4cccc(F)c4)sc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.47
CHUK O15111 2/20 0.42
TLR7 Q9NYK1 1/20 0.41
STK17B O94768 1/20 0.39
MAP4K4 O95819 2/20 0.39
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA1 P30542 3/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KIT P10721 1/20 0.35

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
Hydrochloric Acid SCHEMBL3546341 0.99 IKBKB (0.46) IKBKBCHUKTLR7STK17BMAP4K4
SCHEMBL3545657 0.90 TLR7 (0.49) IKBKBCHUKTLR7KDM4ENPC1
SCHEMBL3553685 0.87 IKBKB (0.42) IKBKBCHUKTLR7STK17BKDM4E
Trifluoroacetic Acid SCHEMBL3543648 0.85 TLR7 (0.43) IKBKBCHUKTLR7STK17BKDM4E
SCHEMBL3548041 0.85 IKBKB (0.61) IKBKBCHUKMAP4K4
SCHEMBL3548637 0.85 TLR7 (0.51) IKBKBCHUKTLR7KDM4ENPC1
Trifluoroacetic Acid SCHEMBL3551451 0.80 TLR7 (0.47) IKBKBCHUKTLR7STK17BKDM4E
SCHEMBL3543166 0.78 IKBKB (0.55) IKBKBCHUKTLR7
SCHEMBL3544016 0.77 IKBKB (0.46) IKBKBCHUKTLR7
SCHEMBL3548558 0.77 IKBKB (0.46) IKBKBCHUKTLR7MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US claimed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US disclosed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US disclosed
WO-2007044050-A2 1H-IMIDAZO[4,5-D]THIENO[3,2-B]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 WO disclosed