SCHEMBL22768050

SCHEMBL22768050

N=Cc1cc(Br)c(C#CC2CCOCC2)cc1N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33

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
SCHEMBL21901271 0.84 PGK1 (0.34) PTPN11
SCHEMBL21900949 0.75 HDAC1 (0.34)
SCHEMBL21901148 0.69
SCHEMBL23883755 0.68 GRM5 (0.38)
SCHEMBL20438012 0.65 OPRL1 (0.32)
SCHEMBL21856683 0.65 AXL (0.40)
SCHEMBL23887277 0.61 HAO1 (0.32)
SCHEMBL23707392 0.60 PTPN11 (0.33) PTPN11
SCHEMBL25544262 0.60 ALDH1A1 (0.35)
SCHEMBL24233251 0.60

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022026372-A2 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-02-03 WO disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed