SCHEMBL29959233

SCHEMBL29959233

[2H]C([2H])([2H])O[C@H]1CCN(c2nccc(N)n2)C[C@H]1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.44
KDM1A O60341 1/20 0.39
PDE4D Q08499 1/20 0.35
DYRK1A Q13627 4/20 0.34
HRH3 Q9Y5N1 1/20 0.34
OGA O60502 1/20 0.34
ROCK2 O75116 1/20 0.34
DKK1 O94907 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL23578784 1.00 EGFR (0.44) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL30848738 0.93 EGFR (0.44) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL29958987 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL22464585 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL30733190 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL16374375 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL19015477 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL15740731 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL15740505 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3
SCHEMBL29958815 0.91 EGFR (0.50) EGFRKDM1APDE4DDYRK1AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 CN disclosed
CN-117916232-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-19 CN disclosed
CN-117858872-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-09 CN disclosed
WO-2022271612-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER 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
CN-115135642-A Inhibitors of mutant forms of EGFR 缆图药品公司 2022-09-30 CN disclosed