SCHEMBL30150671

SCHEMBL30150671

O=S(=O)(Oc1ccc(Br)c2cnc(Cl)cc12)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 7/20 0.34
CSNK2A1 P68400 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALPL P05186 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL23579175 1.00 EPAS1 (0.34) EPAS1CSNK2A1L3MBTL1PDE4APDE4C
SCHEMBL30848845 1.00 EPAS1 (0.34) EPAS1CSNK2A1L3MBTL1PDE4APDE4C
SCHEMBL29206714 0.82 CSNK2A1 (0.35) EPAS1CSNK2A1ALPL
SCHEMBL29959365 0.80 CSNK2A1 (0.32) CSNK2A1PDE4APDE4CPDE4D
SCHEMBL23578707 0.80 CSNK2A1 (0.32) CSNK2A1PDE4APDE4CPDE4D
SCHEMBL2185158 0.77 PDE4A (0.34) PDE4APDE4CPDE4DESR2CA1
SCHEMBL24819988 0.77 L3MBTL1 (0.34) CSNK2A1L3MBTL1
SCHEMBL23592754 0.74 NQO1 (0.39) CSNK2A1
SCHEMBL21313423 0.74 PKM (0.43) EPAS1L3MBTL1ESR2CA1CA2
SCHEMBL1396954 0.74 PDE4A (0.36) EPAS1L3MBTL1PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271612-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed
WO-2022271630-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed
WO-2022271749-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed