SCHEMBL9258008

SCHEMBL9258008

NCCn1nc(-c2ccncc2)c2cnccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PRKCH P24723 4/20 0.36
PRKCE Q02156 4/20 0.36
PRKCD Q05655 4/20 0.36
PRKCQ Q04759 3/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL9304792 0.91 MAPK13 (0.41) NAMPTHSD17B10KDM4ETSHRPRKCH
SCHEMBL9306122 0.91 HSD17B10 (0.47) HSD17B10KDM4ETSHRMAOAMAOB
SCHEMBL9257304 0.90 MERTK (0.44) NAMPTHSD17B10KDM4ETSHRNFATC1
Hydrochloric Acid SCHEMBL8134231 0.90 HSD17B10 (0.46) HSD17B10KDM4ETSHRMAOAMAOB
SCHEMBL8137072 0.88 ALDH1A1 (0.39) NAMPTHSD17B10KDM4ETSHRMAOA
SCHEMBL9302703 0.88 CSNK2A2 (0.39) NAMPTCDC7CDK2MAPT
SCHEMBL9304657 0.88 KIF11 (0.41) NAMPTKDM4EMAOBMAPK13MAPK12
SCHEMBL9303594 0.84 HRH1 (0.36) NAMPTHSD17B10KDM4EMAPK13MAPK12
SCHEMBL9305917 0.83 HRH1 (0.38) HSD17B10KDM4ETSHRMAPK13MAPK12
SCHEMBL9305353 0.83 SRC (0.40) NAMPTACHEMAPK13MAPK12MAPK11

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-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 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