SCHEMBL23770753

SCHEMBL23770753

Cc1ccccc1-c1nc(NSc2cccc(N3CC(O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.36
MPL P40238 1/20 0.33
RBP4 P02753 1/20 0.33
SOS1 Q07889 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
RAF1 P04049 3/20 0.31
BRAF P15056 3/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL23770806 0.90 RBP4 (0.36) GRIN2BMPLRBP4
SCHEMBL23770836 0.89 MPL (0.33) MPLSOS1PRKCAPRKCQCLK2
SCHEMBL23770822 0.89 MPL (0.33) GRIN2BMPLPRKCAPRKCQCLK2
SCHEMBL23770810 0.88 MPL (0.32) GRIN2BMPLRBP4PRKCAPRKCQ
SCHEMBL23770433 0.88 PDE10A (0.36) PDE10A
SCHEMBL23770664 0.87 NPY5R (0.36) PDE10A
SCHEMBL23770840 0.86 KDM4E (0.35) GRIN2B
SCHEMBL23770859 0.86 CYP1A2 (0.44)
SCHEMBL23770725 0.85 CYP1A2 (0.37) PRKCAPRKCQ
SCHEMBL23770663 0.85 CYP1A2 (0.43) SOS1

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