SCHEMBL23770807

SCHEMBL23770807

Cc1cccc(C)c1-c1nc(N[S+]([O-])c2cccc(N3CCNCC3=O)n2)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.34
WEE1 P30291 1/20 0.32
PIK3CD O00329 4/20 0.32
PIK3CA P42336 4/20 0.32
PIK3CB P42338 4/20 0.32
MAP4K1 Q92918 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL23770820 0.81 CCNT1 (0.35) PIM1PIM3PIM2
SCHEMBL19925706 0.80 PIM1 (0.36) PIM1WEE1PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL19925148 0.79 PIM1 (0.35) PIM1WEE1PIK3CDPIK3CAPIK3CB
SCHEMBL23770818 0.75
SCHEMBL23770441 0.71 HTR3E (0.43) SLC6A4
SCHEMBL23770622 0.69 CTSL (0.36) PIM1
SCHEMBL5795727 0.67 HTR3E (0.58) PIM1WEE1PIM3PIM2SLC6A2
SCHEMBL19925230 0.65 HTR3E (0.42)
SCHEMBL23770460 0.65 GSK3B (0.35) WEE1PIK3CDPIK3CAPIK3CBSLC6A2
SCHEMBL23770450 0.64 HTR3E (0.43) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed