SCHEMBL23770836

SCHEMBL23770836

Cc1c(F)cccc1-c1nc(NSc2cccc(N3CC(O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.33
SOS1 Q07889 2/20 0.33
PRKCA P17252 1/20 0.31
PRKCQ Q04759 1/20 0.31
LRRK2 Q5S007 2/20 0.31
CLK2 P49760 1/20 0.31
GRM4 Q14833 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 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
SCHEMBL23770753 0.89 GRIN2B (0.36) MPLSOS1PRKCAPRKCQLRRK2
SCHEMBL23770694 0.87 GALR2 (0.40) SOS1
SCHEMBL23770850 0.87 LRRK2 (0.33) LRRK2
SCHEMBL23770471 0.87 SOS1 (0.34) SOS1
SCHEMBL23770453 0.86 CYP1A2 (0.40) SOS1
SCHEMBL23770822 0.85 MPL (0.33) MPLPRKCAPRKCQLRRK2CLK2
SCHEMBL23770593 0.85 GALR2 (0.33)
SCHEMBL23770810 0.85 MPL (0.32) MPLPRKCAPRKCQ
SCHEMBL23770793 0.84 MPL (0.38) MPLLRRK2
SCHEMBL23770489 0.82 HSD11B1 (0.33) MPLLRRK2CLK2

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