SCHEMBL23770773

SCHEMBL23770773

Cc1ccc(F)cc1-c1nc(NSc2ccnc(N)c2)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.37
S1PR1 P21453 1/20 0.35
EPHA4 P54764 1/20 0.33
AGPAT2 O15120 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
TRPA1 O75762 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL23770544 0.87 S1PR1 (0.33) ABL1S1PR1
SCHEMBL23770776 0.86 ABL1 (0.38) ABL1EPHA4AGPAT2MAPK13MAPK12
SCHEMBL23770543 0.83 S1PR1 (0.35) S1PR1NOS3NOS2
SCHEMBL23770596 0.82 ADRB1 (0.41) ABL1
SCHEMBL23770583 0.82 RAF1 (0.36) ABL1
SCHEMBL23770447 0.81 SOS1 (0.34) ABL1
SCHEMBL23770566 0.81 AGPAT2 (0.35) ABL1EPHA4AGPAT2TRPA1
SCHEMBL23770732 0.79 NOS3 (0.38) ABL1S1PR1AGPAT2NOS3NOS2
SCHEMBL19925174 0.78 SCN9A (0.40) ABL1
SCHEMBL29464306 0.78 SCN9A (0.40) ABL1

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