SCHEMBL8216558

SCHEMBL8216558

c1cc2ccc3c(c2cn1)NCN3

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
TNF P01375 1/20 0.36
MAPK10 P53779 6/20 0.35
HIPK2 Q9H2X6 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ACHE P22303 1/20 0.32
MAOA P21397 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.30
IMPDH2 P12268 2/20 0.30

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
SCHEMBL29742542 0.76 CDC7 (0.39) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL15051861 0.76 CDC7 (0.39) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL31712942 0.75 ALDH1A1 (0.44) HTR2AHTR2C
SCHEMBL15291748 0.75 ALDH1A1 (0.44) HTR2AHTR2C
SCHEMBL29569821 0.72 CLK1 (0.54) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL672509 0.72 CLK1 (0.54) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL29137654 0.70 EGFR (0.30)
SCHEMBL13154633 0.69 NOTUM (0.42) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL13154654 0.69 CHRNB2 (0.43) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL1300267 0.68 EGFR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011008597-A1 DIHYDROIMIDAZOISOQUINOLINE DERIVATIVES USEFUL AS PDE10 INHIBITORS SCHERING CORPORATION (US) 2011-01-20 WO disclosed
WO-2011008597-A1 DIHYDROIMIDAZOISOQUINOLINE DERIVATIVES USEFUL AS PDE10 INHIBITORS SCHERING CORPORATION (US) 2011-01-20 WO disclosed
EP-0341213-B1 5-Aryl-substituted-2,3-dihydro-imidazo [1,2-a]furo[3,2-c]- or thieno[2,3-c]pyridines SANDOZ AG (CH) 1995-02-22 EP disclosed
US-5141932-A Antitumor agents SANDOZ PHARMACEUTICALS CORP. (US) 1992-08-25 US disclosed
EP-0258175-B1 5-hetero- or aryl-substituted-imidazo[2,1-a]isoquinolines SANDOZ AG (CH) 1992-04-01 EP disclosed
US-4992428-A Hypotensive agents, antiallergens, bronchodilator SANDOZ PHARM. CORP. (US) 1991-02-12 US disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 US disclosed
EP-0341213-A2 5-Aryl-substituted-2,3-dihydro-imidazo [1,2-a]furo[3,2-c]- or thieno[2,3-c]pyridines SANDOZ AG (CH) 1989-11-08 EP disclosed
WO-1988006157-A1 5-HETERO- OR ARYL-SUBSTITUTED-IMIDAZO[2,1-a]ISOQUINOLINES SANDOZ-ERFINDUNGEN VERWALTUNGSGESELLSCHAFT M.B.H. (AT) 1988-08-25 WO disclosed
EP-0258175-A2 5-hetero- or aryl-substituted-imidazo[2,1-a]isoquinolines SANDOZ AG (CH) 1988-03-02 EP disclosed
US-3887566-A 2,3-Dihydroimidazo-isoquinolines ASPRO NICHOLAS LTD 1975-06-03 US disclosed