SCHEMBL12679796

SCHEMBL12679796

N#Cc1c(C#N)c(-c2ccncc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.57
ADORA2A P29274 3/20 0.57
NOTUM Q6P988 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MET P08581 1/20 0.50
SQOR Q9Y6N5 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK12 P53778 1/20 0.44

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
SCHEMBL31663596 0.82 ADORA1 (0.55) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL31663594 0.82 ADORA1 (0.55) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL12679765 0.82 ADORA1 (0.55) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL20740868 0.81 ADORA1 (0.44) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL12681345 0.81 MAPT (0.48) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL12679798 0.80 ALDH1A1 (0.55) ADORA1ADORA2AMEN1KMT2ARXFP1
SCHEMBL16984845 0.80 ALDH1A1 (0.55) ADORA1ADORA2AMEN1KMT2ARXFP1
SCHEMBL20740875 0.80 ADORA1 (0.43) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL31663604 0.78 ADORA1 (0.56) ADORA1ADORA2ANOTUMMEN1KMT2A
SCHEMBL1034013 0.78 ALDH1A1 (0.53) ADORA1ADORA2AMEN1KMT2ARXFP1

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-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-8273467-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-09-25 US disclosed
US-8273467-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-09-25 US disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed