SCHEMBL23770566

SCHEMBL23770566

Cc1ccc(F)cc1-c1nc(NSc2cccc(N)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.35
EPHA4 P54764 1/20 0.34
ABL1 P00519 4/20 0.33
SCN9A Q15858 1/20 0.33
PTPN1 P18031 1/20 0.31
MPL P40238 1/20 0.31
TRPA1 O75762 1/20 0.31
KRAS P01116 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
SCHEMBL23770551 0.88 PTPN1 (0.36) EPHA4PTPN1MPLTRPA1
SCHEMBL23770604 0.86 DHFR (0.32) ABL1SCN9A
SCHEMBL23770652 0.86 HSD11B1 (0.32) TRPA1
SCHEMBL23770558 0.85 AGPAT2 (0.40) AGPAT2EPHA4ABL1
SCHEMBL23770405 0.84 PTPN1 (0.31) PTPN1MPL
SCHEMBL23770752 0.83 MPL (0.34) PTPN1MPL
SCHEMBL23770452 0.82 PDE10A (0.34) ABL1
SCHEMBL23770610 0.82 BACE1 (0.38) PTPN1MPL
SCHEMBL23770466 0.81 CYP1A2 (0.37) ABL1
SCHEMBL23770773 0.81 ABL1 (0.37) AGPAT2EPHA4ABL1TRPA1

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