SCHEMBL4598396

SCHEMBL4598396

CC[C@H](Nc1c(Nc2ccc3nc[nH]c3c2)c(=O)c1=O)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.49
MAPKAPK2 P49137 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
CDK1 P06493 1/20 0.45
MMP12 P39900 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4906078 0.93 MAPKAPK2 (0.47) QPCTMAPKAPK2KMT2APOLBMEN1
SCHEMBL4597016 0.93 MAPKAPK2 (0.47) QPCTMAPKAPK2KMT2APOLBMEN1
SCHEMBL4598170 0.81 MAPKAPK2 (0.58) QPCTMAPKAPK2KMT2APOLBMEN1
SCHEMBL4908999 0.81 MAPKAPK2 (0.58) QPCTMAPKAPK2KMT2APOLBMEN1
SCHEMBL4599129 0.81 MAPKAPK2 (0.45) QPCTMAPKAPK2
SCHEMBL4598655 0.77 MAPKAPK2 (0.41) QPCTMAPKAPK2KMT2APOLBMEN1
SCHEMBL4597296 0.74 ROCK2 (0.52) QPCTKMT2ACDK1MMP12NPC1
SCHEMBL4910847 0.73 MAPKAPK2 (0.42) QPCTMAPKAPK2KMT2APOLBMEN1
SCHEMBL4598622 0.73 QPCT (0.50) QPCTCDK1
SCHEMBL4598309 0.73 MAPK1 (0.40) QPCTMAPKAPK2POLB

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-1910312-A1 QUADRATIC ACID II DERIVATIVES Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 WO claimed