SCHEMBL2767634

SCHEMBL2767634

CCNC(=O)OCc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.72
CHUK O15111 13/20 0.72
RET P07949 1/20 0.54
CYP2C9 P11712 1/20 0.54
EPHA1 P21709 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
EPHB1 P54762 1/20 0.54
PTK6 Q13882 1/20 0.54

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
SCHEMBL3039541 0.93 IKBKB (0.71) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767684 0.92 IKBKB (0.72) IKBKBCHUK
SCHEMBL2767308 0.92 IKBKB (0.70) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767788 0.91 IKBKB (0.69) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767053 0.91 IKBKB (0.76) IKBKBCHUK
SCHEMBL2765976 0.90 IKBKB (0.73) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767444 0.90 IKBKB (0.68) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL13376625 0.90 IKBKB (0.71) IKBKBCHUK
SCHEMBL2769800 0.90 IKBKB (0.71) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2768713 0.90 IKBKB (0.67) IKBKBCHUKRETCYP2C9EPHA1

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 2 patents. 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
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed