SCHEMBL3085172

SCHEMBL3085172

Nc1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c(N)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
PTGS2 P35354 6/20 0.40
CHEK1 O14757 3/20 0.39
CDK1 P06493 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGFR P00533 1/20 0.39
DYRK1A Q13627 2/20 0.38
CDK5 Q00535 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 2/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 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
SCHEMBL28657494 0.80 ESR1 (0.49) ESR1ESR2PTGS2CHEK1CDK1
SCHEMBL22326302 0.71 ALDH1A1 (0.44) MAPK1NPSR1KDM4EMAPTMEN1
SCHEMBL7624177 0.70 ESR1 (0.52) ESR1ESR2PTGS2MAPK1NPSR1
SCHEMBL1934974 0.70 ESR1 (0.53) ESR1ESR2PTGS2CHEK1CDK1
SCHEMBL18610257 0.69 ESR1 (0.73) ESR1ESR2PTGS2EGFRKDM4E
SCHEMBL7991776 0.68 ALDH1A1 (0.41) MAPK1NPSR1KDM4EMAPTMEN1
SCHEMBL2224694 0.67 ESR1 (0.44) ESR1ESR2PTGS2NPSR1KDM4E
SCHEMBL28983296 0.67 ESR1 (0.58) ESR1ESR2PTGS2CHEK1CDK1
SCHEMBL29965835 0.67 ESR1 (0.44) ESR1ESR2PTGS2NPSR1KDM4E
SCHEMBL3278733 0.66 ESR1 (0.62) ESR1ESR2MAPK1NPSR1KDM4E

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
EP-2316927-B1 KASPP (LRRK2) GENE, ITS PRODUCTION AND USE FOR THE DETECTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT GMBH (DE) 2014-11-05 EP disclosed
US-8409809-B2 KASPP (LRRK2) gene, its production and use for the detection and treatment of neurodegenerative disorders HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2013-04-02 US disclosed
EP-1802749-B1 KASPP (LRRK2) GENE, ITS PRODUCTION AND USE FOR THE DETECTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS HELMHOLTZ ZENTRUM MUENCHEN (DE) 2012-08-22 EP disclosed
US-20100235933-A1 Kaspp (lrrk2) gene, its production and use for the detection and treatment of neurodegenerative disorders MAYO CLINIC (US) 2010-09-16 US disclosed
EP-1802749-A2 KASPP (LRRK2) GENE, ITS PRODUCTION AND USE FOR THE DETECTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS GSF-FORSCHUNGSZENTRUM FÜR UMWELT UND GESUNDHEIT, GMBH (DE) 2007-07-04 EP disclosed
WO-2006045392-A2 KASPP (LRRKE) GENE, ITS PRODUCTION AND USE FOR THE DETECTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS GSF-Forschungszentrum für Umwelt und Gesundheit GmbH (DE) 2006-05-04 WO disclosed