SCHEMBL23027376

SCHEMBL23027376

O=C(Nc1cc[nH]c(=O)c1)c1cc(Cl)c(C(F)(F)F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
SCN8A Q9UQD0 19/20 0.55
SCN10A Q9Y5Y9 19/20 0.55

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
SCHEMBL15901746 0.87 SCN8A (0.65) JAK2JAK1TYK2SCN8ASCN10A
SCHEMBL15902019 0.84 SCN8A (0.67) JAK2JAK1TYK2SCN8ASCN10A
SCHEMBL23027346 0.80 SCN8A (0.61) SCN8ASCN10A
SCHEMBL22203108 0.80 BRAF (0.42) JAK2JAK1
SCHEMBL29398470 0.80 BRAF (0.42) JAK2JAK1
SCHEMBL30065545 0.80 SCN8A (0.53) SCN8ASCN10A
SCHEMBL28654766 0.80 SCN8A (0.53) SCN8ASCN10A
SCHEMBL15902052 0.80 SCN8A (0.69) JAK2JAK1TYK2SCN8ASCN10A
SCHEMBL15901646 0.79 SCN10A (0.72) SCN8ASCN10A
SCHEMBL15901652 0.79 SCN10A (0.69) SCN8ASCN10A

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
WO-2021032074-A1 BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-02-25 WO disclosed