SCHEMBL23770416

SCHEMBL23770416

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCC(C)(N)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.37
PRKCA P17252 6/20 0.35
PRKCQ Q04759 6/20 0.35
MAPK3 P27361 3/20 0.34
MAPK1 P28482 3/20 0.34
KCNH2 Q12809 1/20 0.34
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
JMJD7 P0C870 1/20 0.32
PRKCH P24723 1/20 0.32
GSK3B P49841 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 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
SCHEMBL23770787 0.89 PDE10A (0.35) MAPK1
SCHEMBL23770621 0.89 PDE10A (0.35) MAPK1
SCHEMBL23770748 0.89 RORC (0.33) PTPN11PRKCAPRKCQGSK3B
SCHEMBL23770649 0.84 PIM1 (0.34) PTPN11PRKCQ
SCHEMBL23770480 0.84 GRIN2B (0.33)
SCHEMBL23770712 0.83 NPC1 (0.33)
SCHEMBL23770464 0.83 LMNA (0.34)
SCHEMBL23770448 0.81 CKS1B (0.40)
SCHEMBL23770629 0.80 PTPN1 (0.32)
SCHEMBL19925767 0.80 PTPN11 (0.38) PTPN11PRKCAPRKCQMAPK3MAPK1

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