SCHEMBL3546406

SCHEMBL3546406

CCNc1nc2cc(-c3ccccc3)sc2c2c1ncn2C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.52
CHUK O15111 7/20 0.50
NPR1 P16066 1/20 0.45
PDE7A Q13946 1/20 0.43
RAD52 P43351 1/20 0.41

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 SCHEMBL3541768 0.91 IKBKB (0.49) IKBKBCHUKNPR1PDE7A
SCHEMBL3542136 0.87 IKBKB (0.67) IKBKBCHUK
SCHEMBL3549854 0.80 IKBKB (0.46) IKBKBCHUKPDE7ARAD52
SCHEMBL3545657 0.80 TLR7 (0.49) IKBKBCHUKPDE7ARAD52
SCHEMBL3548041 0.78 IKBKB (0.61) IKBKBCHUK
SCHEMBL3548555 0.78 IKBKB (0.60) IKBKBCHUK
SCHEMBL22145812 0.77 IKBKB (0.56) IKBKBCHUK
SCHEMBL3550625 0.75 CDK2 (0.46) IKBKBCHUK
SCHEMBL3545712 0.74 IKBKB (0.68) IKBKBCHUK
SCHEMBL3553461 0.73 IKBKB (0.53) IKBKBCHUK

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