SCHEMBL23770641

SCHEMBL23770641

Cc1ccc(F)cc1-c1nc(NSc2ccc(N)nc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.41
AGPAT2 O15120 1/20 0.38
EPHA4 P54764 1/20 0.34
PIK3CD O00329 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 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
SCHEMBL23770703 0.92 ABL1 (0.35) ABL1AGPAT2PIK3CDSTIM1ORAI1
SCHEMBL23770776 0.85 ABL1 (0.38) ABL1AGPAT2EPHA4
SCHEMBL23770777 0.85 ADORA2A (0.33) EPHA4
SCHEMBL23770438 0.80 KDM4E (0.34)
SCHEMBL23770696 0.80 GAA (0.32) ABL1
SCHEMBL23770558 0.80 AGPAT2 (0.40) ABL1AGPAT2EPHA4
SCHEMBL19968773 0.78 PIK3CD (0.46) ABL1PIK3CD
SCHEMBL29464429 0.78 PIK3CD (0.46) ABL1PIK3CD
SCHEMBL23770553 0.78 PIK3CD (0.37) ABL1PIK3CD
SCHEMBL19925120 0.77 ABL1 (0.46) ABL1AGPAT2EPHA4

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