SCHEMBL3554298

SCHEMBL3554298

CNc1nc2[nH]c(-c3ccc(CNC(C)=O)cc3)cc2c2c1ncn2C

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.81
CHUK O15111 10/20 0.81

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
SCHEMBL2766370 0.91 IKBKB (0.71) IKBKBCHUK
SCHEMBL2766787 0.91 IKBKB (0.82) IKBKBCHUK
SCHEMBL3549205 0.91 IKBKB (0.71) IKBKBCHUK
SCHEMBL2767229 0.91 IKBKB (0.71) IKBKBCHUK
SCHEMBL2768410 0.90 IKBKB (0.67) IKBKBCHUK
SCHEMBL2767943 0.90 IKBKB (0.70) IKBKBCHUK
SCHEMBL2768248 0.90 IKBKB (1.00) IKBKBCHUK
SCHEMBL2769307 0.88 IKBKB (0.73) IKBKBCHUK
SCHEMBL2768202 0.88 IKBKB (0.69) IKBKBCHUK
SCHEMBL2768119 0.88 IKBKB (0.65) 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