SCHEMBL29959025

SCHEMBL29959025

Nc1ccnc(N2CCC3(OCCO3)[C@H](F)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ OGA O60502 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PTPN11 Q06124 3/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ DYRK1A Q13627 4/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL23592761 1.00 KDM1A (0.36) KDM1AOGAPIK3CDPIK3R1PIK3CA
SCHEMBL25063615 0.81 KDM1A (0.38) KDM1AOGAPIK3CDPIK3R1PIK3CA
SCHEMBL29195182 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL29195158 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL15740518 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL15740521 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL19015576 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL30848834 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL15749462 0.80 EGFR (0.42) KDM1AOGAPTPN11MKNK1MKNK2
SCHEMBL23593463 0.77 PTPN11 (0.48) KDM1AOGAPIK3CDPIK3R1PIK3CA

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
CN-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 — — CN disclosed
EP-4081515-A1 INHIBITORS OF MUTANT FORMS OF EGFR Blueprint Medicines Corporation (US) 2022-11-02 — — EP disclosed
CN-115135642-A Inhibitors of mutant forms of EGFR 缆图药品公司 2022-09-30 — — CN disclosed
Send feedback