SCHEMBL14933613

SCHEMBL14933613

O=c1[nH]c2cccnc2c2ncccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.77
KDM4E B2RXH2 2/20 0.57
AURKA O14965 1/20 0.50
MEN1 O00255 1/20 0.48
TNKS O95271 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
GPR3 P46089 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP15 Q460N3 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 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
SCHEMBL15338391 0.87 PARP1 (1.00) PARP1KDM4EAURKAMEN1TNKS
SCHEMBL12750384 0.87 PARP1 (1.00) PARP1KDM4EAURKAMEN1TNKS
SCHEMBL30910462 0.87 PARP1 (1.00) PARP1KDM4EAURKAMEN1TNKS
SCHEMBL5879545 0.84 PARP1 (0.81) PARP1KDM4EAURKAMEN1TNKS
SCHEMBL30322789 0.79 PARP1 (0.55) PARP1KDM4ELMNAPMP22GABRA1
SCHEMBL12396542 0.79 PARP1 (0.55) PARP1KDM4ELMNAPMP22GABRA1
SCHEMBL21052453 0.77 PARP1 (0.71) PARP1KDM4EMEN1TNKSALDH1A1
SCHEMBL30231234 0.77 PARP1 (0.71) PARP1KDM4EMEN1TNKSALDH1A1
SCHEMBL17536725 0.76 PARP1 (0.59) PARP1KDM4EAURKAGABRA1GABRG2
SCHEMBL2442863 0.76 PARP1 (0.69) PARP1KDM4EAURKAMEN1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9337430-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-05-10 US disclosed
US-9337430-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-05-10 US disclosed
EP-2773721-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
US-20140249308-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-09-04 US disclosed
US-20140249308-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-09-04 US disclosed
WO-2013064206-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-05-10 WO disclosed