SCHEMBL9251358

SCHEMBL9251358

Brc1ccc(-c2n[nH]c3ccncc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 4/20 0.54
DYRK1A Q13627 4/20 0.54
DCLK1 O15075 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
CSF1R P07333 1/20 0.54
FER P16591 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
FLT4 P35916 1/20 0.54
FLT3 P36888 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1D P48730 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK1G2 P78368 1/20 0.54
MAP4K2 Q12851 1/20 0.54
STK3 Q13188 1/20 0.54
CAMK2B Q13554 1/20 0.54
CAMK2G Q13555 1/20 0.54

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
SCHEMBL9258940 0.85 MKNK1 (0.57) CLK2DYRK1ADCLK1PRKD3MAP4K4
SCHEMBL1922154 0.83 MAPK14 (0.51) CLK2DYRK1APRKD3MAP4K4MAPK9
SCHEMBL1921806 0.83 MKNK1 (0.47) CLK2DYRK1ACDK2MKNK1IDO1
SCHEMBL1922328 0.83 MAP2K4 (0.56) CLK2DYRK1AMKNK1IDO1LRRK2
SCHEMBL1513103 0.82 IDO1 (0.63) CLK2DYRK1ADCLK1PRKD3MAP4K4
Hydrochloric Acid SCHEMBL9260992 0.81 MKNK1 (0.46) CLK2DYRK1ACDK2MKNK1IDO1
SCHEMBL9261867 0.81 CLK2 (0.56) CLK2DYRK1ADCLK1PRKD3MAP4K4
SCHEMBL2242478 0.79 LRRK2 (0.59) MKNK1IDO1LRRK2MAPK13MAPK12
SCHEMBL2731639 0.77 FLT3 (0.75) CLK2DYRK1ADCLK1PRKD3MAP4K4
SCHEMBL28982378 0.77 IDO1 (0.71) CLK2DYRK1ADCLK1PRKD3MAP4K4

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
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US claimed
US-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed