SCHEMBL23770486

SCHEMBL23770486

Cc1ccc(C(F)(F)F)cc1-c1nc(NSc2cccc(N3CC(C)(O)C3)n2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
IL1B P01584 2/20 0.33
TNF P01375 1/20 0.33
AGPAT2 O15120 1/20 0.33
PDE2A O00408 2/20 0.32
RAF1 P04049 8/20 0.31
BRAF P15056 8/20 0.31

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
SCHEMBL23770751 0.82 GPR119 (0.40) RAF1BRAF
SCHEMBL19925200 0.82 LMNA (0.35) ABL1RAF1BRAF
SCHEMBL23770707 0.80 AGPAT2 (0.39) ABL1AGPAT2PDE2ABRAF
SCHEMBL23770831 0.80 ABL1 (0.33) ABL1AGPAT2
SCHEMBL23770866 0.77 SOS1 (0.34) RAF1BRAF
SCHEMBL23770741 0.76 ABL1 (0.35) ABL1AGPAT2RAF1BRAF
SCHEMBL23770471 0.75 SOS1 (0.34)
SCHEMBL23770808 0.74 HTR3E (0.38) ABL1
SCHEMBL23770855 0.74 ABL1 (0.32) ABL1
SCHEMBL23770564 0.73 SOS1 (0.40)

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