SCHEMBL23770892

SCHEMBL23770892

Cc1cccc(C)c1-c1nc(NSc2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
PRKCA P17252 7/20 0.33
PRKCQ Q04759 7/20 0.33
PTPN11 Q06124 4/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
BTK Q06187 2/20 0.32
GSK3B P49841 2/20 0.31
CLK2 P49760 1/20 0.31
GSK3A P49840 1/20 0.31
CSNK2A1 P68400 1/20 0.31
STK3 Q13188 1/20 0.31
HIPK4 Q8NE63 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
BRAF P15056 1/20 0.31
HSD11B1 P28845 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
JMJD7 P0C870 1/20 0.31
PRKCH P24723 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
SCHEMBL19970089 0.90 BTK (0.36) PRKCAPRKCQPTPN11EIF2AK4BTK
SCHEMBL23770841 0.90 MEN1 (0.34) PRKCAPRKCQPTPN11EIF2AK4ACACB
SCHEMBL23770844 0.87 PTPN11 (0.33) RORCPTPN11
SCHEMBL23770832 0.87 RBP4 (0.33) RORCPRKCAPRKCQPTPN11BTK
SCHEMBL19970118 0.86 RORC (0.35) RORCPTPN11BRAF
SCHEMBL23770654 0.86 RORC (0.40) RORCPTPN11BTKGPBAR1BRAF
SCHEMBL23770880 0.85 RORC (0.41) RORCPTPN11BTKBRAF
SCHEMBL23770730 0.83 RORC (0.32) RORCPRKCAPRKCQGPBAR1
SCHEMBL23770651 0.83 RORC (0.38) RORCPTPN11BTKGPBAR1BRAF
SCHEMBL23770801 0.83 GPBAR1 (0.33) RORCPRKCAPRKCQBTKGPBAR1

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