SCHEMBL3545657

SCHEMBL3545657

Cn1cnc2c(N)nc3cc(-c4ccccc4)sc3c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.49
IKBKB O14920 7/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
CHUK O15111 3/20 0.46
NPY5R Q15761 1/20 0.41
POLB P06746 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA1A P35348 1/20 0.40
NUDT1 P36639 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL3543648 0.90 TLR7 (0.43) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3544776 0.90 IKBKB (0.47) TLR7IKBKBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3546341 0.89 IKBKB (0.46) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3548637 0.88 TLR7 (0.51) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3549854 0.85 IKBKB (0.46) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3542136 0.83 IKBKB (0.67) IKBKBCHUKFLT1
Trifluoroacetic Acid SCHEMBL3551451 0.82 TLR7 (0.47) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3543166 0.81 IKBKB (0.55) TLR7IKBKBCHUK
SCHEMBL3546406 0.80 IKBKB (0.52) IKBKBCHUKPDE7ARAD52
SCHEMBL3548558 0.80 IKBKB (0.46) TLR7IKBKBCHUKPOLB

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