SCHEMBL23770832

SCHEMBL23770832

Cc1ccccc1-c1nc(NSc2cccc(N3CCC(C)(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
BTK Q06187 2/20 0.33
RORC P51449 1/20 0.32
PTPN11 Q06124 1/20 0.32
GRIN2B Q13224 1/20 0.30
KIF18A Q8NI77 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCQ Q04759 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
SCHEMBL19970089 0.87 BTK (0.36) RBP4TTRBTKPTPN11KIF18A
SCHEMBL23770592 0.87 ADORA2A (0.32) GRIN2BKIF18A
SCHEMBL23770892 0.87 RORC (0.35) BTKRORCPTPN11PRKCAPRKCQ
SCHEMBL23770875 0.87 BTK (0.34) BTKRORCPTPN11KIF18A
SCHEMBL19970083 0.87 BTK (0.34) BTKRORCPTPN11KIF18A
SCHEMBL23770757 0.87 MEN1 (0.33) PTPN11PRKCAPRKCQ
SCHEMBL23770463 0.86 BTK (0.34) RBP4TTRBTK
SCHEMBL23770654 0.86 RORC (0.40) BTKRORCPTPN11
SCHEMBL19970208 0.86 BTK (0.34) BTKKIF18A
SCHEMBL19970137 0.86 BTK (0.34) BTKKIF18A

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