SCHEMBL13348702

SCHEMBL13348702

BN(C)c1nc2[nH]c(-c3cccc(CO)c3)cc2c2c1ncn2C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.58
CHUK O15111 13/20 0.58
CSF1R P07333 1/20 0.43

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
SCHEMBL12344332 0.86 IKBKB (0.67) IKBKBCHUK
SCHEMBL2784605 0.84 IKBKB (0.54) IKBKBCHUK
SCHEMBL13348700 0.83 CHUK (0.51) IKBKBCHUK
SCHEMBL2767257 0.83 IKBKB (0.81) IKBKBCHUK
SCHEMBL12344621 0.83 IKBKB (0.58) IKBKBCHUKCSF1R
SCHEMBL12344388 0.83 IKBKB (0.71) IKBKBCHUK
SCHEMBL13348635 0.80 IKBKB (0.49) IKBKBCHUK
SCHEMBL13348799 0.80 IKBKB (0.47) IKBKBCHUKCSF1R
SCHEMBL12344509 0.79 IKBKB (0.50) IKBKBCHUK
SCHEMBL13348701 0.79 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 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 disclosed