SCHEMBL2324968

SCHEMBL2324968

CCCC(C)OC(=O)Nc1ccc(C2=NC(C3CCC(N4CCN(C)CC4)C3)=C3C=NC=C[N+]23C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.38
LCK P06239 11/20 0.38
TEK Q02763 10/20 0.38
KDR P35968 4/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
FYN P06241 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
TLR8 Q9NR97 1/20 0.32
ABL1 P00519 3/20 0.32
PTK6 Q13882 2/20 0.31

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
SCHEMBL2326487 1.00 SRC (0.38) SRCLCKTEKKDRLIMK1
SCHEMBL2326997 0.96 SRC (0.37) SRCLCKTEKKDRLIMK1
SCHEMBL2325503 0.96 SRC (0.37) SRCLCKTEKKDRLIMK1
SCHEMBL15482407 0.84 HTT (0.32)
SCHEMBL2324317 0.83 TLR9 (0.31) TLR9TLR7TLR8
SCHEMBL2325192 0.83 TLR9 (0.38) SRCLCKKDRFYNTLR9
SCHEMBL2323235 0.83 TLR9 (0.32) TLR9TLR7TLR8
SCHEMBL2323449 0.83 CDK9 (0.39) TLR9TLR7TLR8
SCHEMBL2324337 0.82 TLR9 (0.36) SRCLCKKDRFYNTLR9
SCHEMBL2330530 0.81 LCK (0.35) SRCLCKTEKKDRLIMK1

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
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 WO disclosed