SCHEMBL13909

SCHEMBL13909

C=C(N)NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
LYN P07948 1/20 0.30
IGF1R P08069 1/20 0.30
SYK P43405 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL14850232 0.94 LYN (0.32) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14850208 0.92 IKBKB (0.30) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13751 0.92 LYN (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13780 0.91 LYN (0.33) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14850202 0.88 HPSE (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14124 0.88 HPSE (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL17354372 0.88 KDR (0.31) IKBKBCHUKLYNIGF1RSYK
SCHEMBL17354234 0.87
SCHEMBL13705 0.87 GPR142 (0.33) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13876 0.86 JAK1 (0.31) IKBKBCHUKLYNIGF1RSYK

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
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed