SCHEMBL8339083

SCHEMBL8339083

O=C1c2c(OCc3cccnc3)cccc2-c2n[nH]c3cccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.48
CHEK1 O14757 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
IKBKB O14920 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
RGS12 O14924 1/20 0.47
AURKA O14965 1/20 0.47
GAK O14976 1/20 0.47
NPC1 O15118 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
STK16 O75716 1/20 0.47
PRKD3 O94806 1/20 0.47

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
SCHEMBL8338946 0.88 TTK (0.50) SGMS2CHEK1MEN1MAPTKMT2A
SCHEMBL8172258 0.88 MAPK8 (0.56) SGMS2CHEK1MEN1MAPTKMT2A
SCHEMBL8337733 0.85 FGFR4 (0.44) SGMS2CHEK1MEN1MAPTKMT2A
SCHEMBL5251497 0.77 ALDH1A1 (0.48) SGMS2CHEK1MEN1MAPTKMT2A
SCHEMBL14277268 0.77 TTK (0.52) CHEK1MEN1MAPTKMT2AIKBKB
SCHEMBL8336736 0.77 CYP1A2 (0.52) CHEK1MEN1MAPTKMT2AIKBKB
SCHEMBL8339586 0.75 TTK (0.53) CHEK1MEN1MAPTKMT2AIKBKB
SCHEMBL8340232 0.75 KDR (0.50) CHEK1MEN1MAPTKMT2AIKBKB
SCHEMBL7994940 0.73 PTGES (0.52) SGMS2IKBKBALDH1A1CYP1A2POLB
SCHEMBL14277253 0.73 MAPT (0.50) SGMS2CHEK1MEN1MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed