SCHEMBL23770853

SCHEMBL23770853

CCOC(=O)C1(C)CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4cc(F)ccc4C)n3)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
RET P07949 4/20 0.34
PTPN11 Q06124 2/20 0.32
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
WDR5 P61964 1/20 0.31
OPRM1 P35372 1/20 0.30
RBP4 P02753 1/20 0.30
TTR P02766 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL23770757 0.91 MEN1 (0.33) PTPN11LMNARAB9AOPRM1MEN1
SCHEMBL23770445 0.90 WDR5 (0.31) ABL1RETLMNARAB9AWDR5
SCHEMBL23770508 0.90 ABL1 (0.35) ABL1RETPTPN11OPRM1MEN1
SCHEMBL23770841 0.88 MEN1 (0.34) PTPN11LMNARAB9AOPRM1MEN1
SCHEMBL19925765 0.85 WDR5 (0.33) ABL1RETPTPN11WDR5OPRM1
SCHEMBL23770463 0.83 BTK (0.34) ABL1RBP4TTR
SCHEMBL23770452 0.83 PDE10A (0.34) ABL1
SCHEMBL19970118 0.82 RORC (0.35) PTPN11LMNA
SCHEMBL23770466 0.82 CYP1A2 (0.37) ABL1WDR5
SCHEMBL23770770 0.82 ADRB2 (0.38) ABL1WDR5

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