SCHEMBL3549205

SCHEMBL3549205

CCC(=O)NCc1ccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.71
CHUK O15111 11/20 0.71
RET P07949 1/20 0.58
CYP2C9 P11712 1/20 0.58
EPHA1 P21709 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
EPHB1 P54762 1/20 0.58
PTK6 Q13882 1/20 0.58

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
SCHEMBL2766787 0.93 IKBKB (0.82) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767229 0.93 IKBKB (0.71) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767943 0.92 IKBKB (0.70) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL3554298 0.91 IKBKB (0.81) IKBKBCHUK
SCHEMBL2767769 0.90 IKBKB (0.73) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL3036731 0.89 IKBKB (0.67) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2767627 0.89 IKBKB (0.72) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL2766370 0.89 IKBKB (0.71) IKBKBCHUK
SCHEMBL2768383 0.89 IKBKB (0.83) IKBKBCHUKRETCYP2C9EPHA1
SCHEMBL3042723 0.88 IKBKB (0.72) 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