SCHEMBL31240734

SCHEMBL31240734

Nc1cccc(Nc2cc(Cl)ccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
ROCK1 Q13464 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SCN9A Q15858 4/20 0.49
KARS1 Q15046 3/20 0.44
GRM4 Q14833 1/20 0.43
EGFR P00533 2/20 0.42
ERBB3 P21860 1/20 0.42
SCN5A Q14524 2/20 0.42
KCNH2 Q12809 1/20 0.38
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38
SYK P43405 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MAPK10 P53779 2/20 0.37
GSK3A P49840 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37

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
SCHEMBL16926595 0.81 GRM5 (0.54) KARS1JAK2TYK2JAK1
SCHEMBL16820257 0.81 GRM4 (0.43) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL24304970 0.80 SCN9A (0.48) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL17974229 0.80 SCN9A (0.46) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL17963935 0.80 SCN9A (0.46) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL9878020 0.78 SCN9A (0.53) ROCK1SCN9AKARS1GRM4SCN5A
SCHEMBL29919700 0.78 SCN9A (0.53) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL28936140 0.78 SCN9A (0.53) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL16926547 0.78 MEN1 (0.53) GRM4JAK2TYK2MAPK10JAK1
SCHEMBL690511 0.77 EGFR (0.52) HTR3EHTR3BHTR3AROCK1HTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed