SCHEMBL2326997

SCHEMBL2326997

CCCC(C)OC(=O)Nc1ccc(C2=NC(C3CC(N4CCN(C)CC4)C3)=C3C=NC=C[N+]23C)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.37
LCK P06239 10/20 0.37
TEK Q02763 9/20 0.37
KDR P35968 4/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
ABL1 P00519 3/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
TLR8 Q9NR97 1/20 0.32
FYN P06241 1/20 0.32
PTK6 Q13882 2/20 0.31
HTT P42858 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
SCHEMBL2325503 1.00 SRC (0.37) SRCLCKTEKKDRLIMK1
SCHEMBL2326487 0.96 SRC (0.38) SRCLCKTEKKDRLIMK1
SCHEMBL2324968 0.96 SRC (0.38) SRCLCKTEKKDRLIMK1
SCHEMBL15482407 0.85 HTT (0.32) HTT
SCHEMBL2324317 0.84 TLR9 (0.31) TLR9TLR7TLR8HTT
SCHEMBL2323449 0.84 CDK9 (0.39) TLR9TLR7TLR8
SCHEMBL2323235 0.84 TLR9 (0.32) TLR9TLR7TLR8
SCHEMBL2325192 0.84 TLR9 (0.38) SRCLCKKDRABL1TLR9
SCHEMBL2324337 0.83 TLR9 (0.36) SRCLCKKDRABL1TLR9
SCHEMBL2324198 0.82 HTT (0.33) LCKKDRABL1HTT

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