SCHEMBL23770889

SCHEMBL23770889

Cc1ccc(F)cc1-c1nc(NSc2cccc(N3CCCC(C=O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.31
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
TTR P02766 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
SCHEMBL23770640 0.87 ITGB2 (0.40) ABL1KDM4EGAAHSD17B10MAPK1
SCHEMBL23770452 0.86 PDE10A (0.34) ABL1KDM4EGAA
SCHEMBL23770827 0.83
SCHEMBL23770791 0.83 PRKCQ (0.34) WDR5
SCHEMBL23770466 0.82 CYP1A2 (0.37) WDR5ABL1KDM4EHSD17B10
SCHEMBL23770431 0.82 GHSR (0.36) WDR5
SCHEMBL23770770 0.82 ADRB2 (0.38) WDR5ABL1
SCHEMBL23770893 0.79 GPBAR1 (0.39) KDM4EHSD17B10
SCHEMBL23770719 0.79 IRAK4 (0.33)
SCHEMBL23770436 0.79 DPP4 (0.39)

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