SCHEMBL4969790

SCHEMBL4969790

Cc1nc(-c2cn[c]nc2-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.39
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
HSD11B1 P28845 1/20 0.35
ROS1 P08922 1/20 0.34
DPP4 P27487 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7674674 0.81 HSP90AA1 (0.51) CRHR1HSP90AA1HSP90AB1HSD11B1MAPT
SCHEMBL4975912 0.81 HSP90AA1 (0.36) CRHR1HSP90AA1HSP90AB1HSD11B1
SCHEMBL27610644 0.78 MAP3K14 (0.48) HSP90AA1HSP90AB1ROS1DPP4MAPT
SCHEMBL4973922 0.78 CRHR1 (0.37) CRHR1HSP90AA1HSP90AB1HSD11B1DPP4
SCHEMBL4971002 0.76 MAPT (0.36) CRHR1HSP90AA1HSP90AB1DPP4MAPT
SCHEMBL18952795 0.74 CNR1 (0.41) HSD11B1DPP4
SCHEMBL4972450 0.74 GSK3B (0.44) CRHR1HSP90AB1HSD11B1DPP4MAPT
SCHEMBL4972454 0.73 IDO1 (0.50) MAPTHPGD
SCHEMBL3327264 0.72 IDO1 (0.47) HSP90AA1HSP90AB1HSD11B1
SCHEMBL4971006 0.71 PIM1 (0.48) CRHR1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed