SCHEMBL6163801

SCHEMBL6163801

C1=CC2=CCc3cccnc3NC2C=C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
TNKS2 Q9H2K2 1/20 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
SCHEMBL460544 0.77 GAA (0.36)
SCHEMBL15973038 0.77
SCHEMBL538532 0.71 TNKS2 (0.42) GSK3BTNKS2
SCHEMBL13066286 0.63 ADRA2A (0.37) GSK3B
SCHEMBL12895008 0.62 GSK3B (0.39) GSK3BTNKS2
SCHEMBL450139 0.61
SCHEMBL4183810 0.60 GSK3B (0.34) GSK3BTNKS2
SCHEMBL279883 0.60 TSHR (0.44) GSK3BTNKS2
SCHEMBL28362032 0.60 GSK3B (0.35) GSK3BTNKS2
SCHEMBL29550020 0.60 GSK3B (0.35) GSK3BTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP claimed
EP-2958565-A1 TRICYCLIC HETEROCYCLES AS ANTICANCER AGENTS Icahn School of Medicine at Mount Sinai (US) 2015-12-30 EP disclosed
WO-2014130534-A1 TRICYCLIC HETEROCYCLES AS ANTICANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-08-28 WO disclosed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US disclosed