SCHEMBL23770637

SCHEMBL23770637

COc1ccc(F)cc1-c1nc(NSc2cccc(N)n2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
CTSA P10619 2/20 0.37
AGPAT2 O15120 6/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
NOS1 P29475 1/20 0.33
SCN9A Q15858 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
AMY1A P0DUB6 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL23770769 0.89 ALDH1A1 (0.38) AGPAT2HSP90AA1HSP90AB1
SCHEMBL23770558 0.87 AGPAT2 (0.40) CTSAAGPAT2
SCHEMBL23770715 0.85 AGPAT2 (0.34) CTSAAGPAT2CCNT1HSP90AB1
SCHEMBL23770554 0.85 DPP4 (0.33) CCNT1CDK9
SCHEMBL23770412 0.82 CCNT1 (0.34) CCNT1CDK9
SCHEMBL23770414 0.80 ALOX5AP (0.34) CCNT1CDK9
SCHEMBL19968777 0.79 SCN9A (0.42) CTSASCN9ANR3C1PGR
SCHEMBL29464327 0.79 SCN9A (0.42) CTSASCN9ANR3C1PGR
SCHEMBL23770546 0.79
SCHEMBL23770415 0.79 ADORA2A (0.34)

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