SCHEMBL30600994

SCHEMBL30600994

O=S(=O)(Oc1cc2ccc(Cl)c(Br)c2cn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NT5E P21589 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EPAS1 Q99814 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL20517233 1.00 PDE4A (0.40) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL30600901 0.86 PDE4A (0.38) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL20517546 0.86 PDE4A (0.38) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL29069627 0.85 PDE4A (0.40) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL30320884 0.85 PDE4A (0.40) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL29099700 0.83 GRM5 (0.34)
SCHEMBL2748382 0.82 PDE4A (0.49) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL31496161 0.82 PDE4A (0.49) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL2749053 0.81 PDE4A (0.39) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1396954 0.81 PDE4A (0.36) PDE4APDE4CPDE4DADORA2AADORA1

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
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed