SCHEMBL5380085

SCHEMBL5380085

O=c1cc(-c2ccncc2)nc(N2CCCCC2)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.77
GSK3B P49841 10/20 0.55
ROCK2 O75116 3/20 0.55
CDC7 O00311 3/20 0.55
MAP4K4 O95819 2/20 0.55
PIM1 P11309 2/20 0.55
PRKACA P17612 2/20 0.55
CDK2 P24941 2/20 0.55
HIPK2 Q9H2X6 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
IRAK4 Q9NWZ3 2/20 0.55
MAPK1 P28482 2/20 0.55
ROCK1 Q13464 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
DBF4 Q9UBU7 2/20 0.55
DYRK3 O43781 1/20 0.55
CDK1 P06493 1/20 0.55
CSF1R P07333 1/20 0.55

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
SCHEMBL5386409 0.99 HSD17B10 (0.74) HSD17B10GSK3BROCK2CDC7MAP4K4
SCHEMBL5383596 0.86 MEN1 (0.74) HSD17B10GSK3BROCK2CDC7MAP4K4
SCHEMBL5381034 0.86 HSD17B10 (0.58) HSD17B10GSK3BROCK2CDC7MAP4K4
SCHEMBL15452734 0.85 HSD17B10 (0.76) HSD17B10ROCK2CDC7PIM1MAPK1
SCHEMBL7447432 0.77 HSD17B10 (0.47) HSD17B10GSK3BROCK2CDC7MAP4K4
SCHEMBL4714445 0.77 GSK3B (0.50) HSD17B10GSK3BROCK2CDC7MAP4K4
SCHEMBL5386406 0.75 HSD17B10 (0.45) HSD17B10GSK3BROCK2CDC7PRKACA
SCHEMBL20012118 0.74 GSK3B (0.50) HSD17B10GSK3BROCK2CDC7MAP4K4
SCHEMBL11847669 0.72 TSHR (0.58) HSD17B10MAPK1MEN1KMT2ALMNA
SCHEMBL11403258 0.72 MAPT (0.66) HSD17B10MAPK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed