SCHEMBL879501

SCHEMBL879501

O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
ROCK2 O75116 2/20 0.41
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
L3MBTL1 Q9Y468 6/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL846745 0.94 ROCK2 (0.47) ROCK2ADORA2AADORA1L3MBTL1MEN1
SCHEMBL846130 0.86 L3MBTL1 (0.44) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL846336 0.84 ADORA2A (0.43) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL1257088 0.82 ALDH1A1 (0.44) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL846068 0.82 KDM4E (0.42) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL846258 0.82 L3MBTL1 (0.40) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL1255710 0.82 L3MBTL1 (0.46) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL1254725 0.82 L3MBTL1 (0.45) ADORA2AADORA1L3MBTL1MEN1MAPT
SCHEMBL1254213 0.81 ADORA2A (0.52) ROCK2ADORA2AADORA1
SCHEMBL879472 0.81 ADORA2A (0.40) ADORA2AADORA1L3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 EP disclosed