SCHEMBL23770855

SCHEMBL23770855

Cc1ccc(F)cc1-c1nc(NSc2cccc(N3CCC(C)(C=O)CC3)n2)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.32
SMO Q99835 1/20 0.31
PTPN11 Q06124 3/20 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
SCHEMBL23770808 0.85 HTR3E (0.38) ABL1PTPN11
SCHEMBL23770508 0.85 ABL1 (0.35) ABL1SMOPTPN11
SCHEMBL23770741 0.81 ABL1 (0.35) ABL1SMO
SCHEMBL23770831 0.80 ABL1 (0.33) ABL1
SCHEMBL23770446 0.80 SUV39H2 (0.39) SMO
SCHEMBL23770754 0.80 ABL1 (0.31) ABL1
SCHEMBL23770868 0.80 PTPN11 (0.37) ABL1PTPN11
SCHEMBL23770558 0.76 AGPAT2 (0.40) ABL1
SCHEMBL23770685 0.76 ABL1 (0.37) ABL1
SCHEMBL23770669 0.75 HTR3A (0.40) PTPN11

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