SCHEMBL2422995

SCHEMBL2422995

Nc1cnc(=O)c2sccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA1 P30542 5/20 0.41
PDPK1 O15530 1/20 0.40
PARP1 P09874 1/20 0.40
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAPT P10636 4/20 0.37
PDE7A Q13946 3/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ELANE P08246 1/20 0.36
HCRTR1 O43613 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL11299368 0.71 PDPK1 (0.50) ADORA2AADORA1PDPK1PARP1AXL
SCHEMBL23152026 0.69 ADORA2A (0.42) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL30901724 0.69 ADORA2A (0.42) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL19414257 0.69 DYRK1A (0.38) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL11713611 0.67 BACE1 (0.47) MAPTPOLBRAB9ASMN1; SMN2ELANE
SCHEMBL5068159 0.66 SMN1; SMN2 (0.54) ADORA2AADORA1PDPK1PARP1MAPT
SCHEMBL29661378 0.63 ADORA2A (0.56) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL5065955 0.63 ADORA2A (0.56) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL31025953 0.62 AXL (0.42) ADORA2AADORA1PDPK1PARP1AXL
SCHEMBL10768234 0.62 AXL (0.42) ADORA2AADORA1PDPK1PARP1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 EP disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 US disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed