SCHEMBL3554535

SCHEMBL3554535

CNc1nc2[nH]c(-c3cccc(CNC(=O)[C@@H](N)Cc4ccccc4)c3)cc2c2c1ncn2C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.78
CHUK O15111 11/20 0.78

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
SCHEMBL3551942 1.00 IKBKB (0.78) IKBKBCHUK
SCHEMBL3039005 0.92 IKBKB (0.75) IKBKBCHUK
SCHEMBL3550956 0.92 IKBKB (0.77) IKBKBCHUK
SCHEMBL3550488 0.91 IKBKB (0.75) IKBKBCHUK
SCHEMBL3550847 0.91 IKBKB (0.75) IKBKBCHUK
SCHEMBL3557665 0.90 IKBKB (0.80) IKBKBCHUK
SCHEMBL3554249 0.90 IKBKB (0.80) IKBKBCHUK
SCHEMBL3554564 0.89 IKBKB (0.73) IKBKBCHUK
SCHEMBL3553580 0.89 IKBKB (0.77) IKBKBCHUK
SCHEMBL3550093 0.89 IKBKB (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US claimed