SCHEMBL299787

SCHEMBL299787

CSc1nccc(-c2sc(-c3cccs3)nc2C)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
RAB9A P51151 3/20 0.73
GAA P10253 3/20 0.73
L3MBTL1 Q9Y468 3/20 0.73
GLA P06280 2/20 0.73
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PIK3CA P42336 1/20 0.39
CDK4 P11802 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL3572269 0.77 CDK2 (0.62) KDM4EL3MBTL1NPSR1MAPK1LMNA
SCHEMBL1888770 0.74 CDK4 (0.52) KDM4ERAB9AGAAL3MBTL1ALDH1A1
SCHEMBL20550287 0.74 TNF (0.42) KDM4ERAB9AGAAL3MBTL1GLA
SCHEMBL8254970 0.74 CDK2 (0.67) KDM4ERAB9AGAAL3MBTL1GLA
SCHEMBL3053870 0.72 ALDH1A1 (0.51) KDM4ERAB9AGAAGLAALDH1A1
SCHEMBL20550693 0.71 KDM4E (0.40) KDM4ERAB9AGAAL3MBTL1GLA
SCHEMBL8258616 0.70 IKBKB (0.61) KDM4ERAB9AGAAL3MBTL1GLA
SCHEMBL2301968 0.70 KDM4E (0.49) KDM4ERAB9AGAAL3MBTL1GLA
SCHEMBL3071259 0.70 RAB9A (0.44) KDM4ERAB9AGAAL3MBTL1GLA
SCHEMBL3232487 0.69 PIK3CA (0.51) KDM4ERAB9AGAAL3MBTL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed