SCHEMBL30442965

SCHEMBL30442965

C[C@@H]1COCCN1c1cc(Cl)nc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 8/20 0.44
▸ PDE4D Q08499 6/20 0.44
▸ PDCD1 Q15116 9/20 0.43
▸ CD274 Q9NZQ7 9/20 0.43
▸ CHEK1 O14757 7/20 0.43
▸ ATRIP Q8WXE1 4/20 0.43
▸ MTOR P42345 1/20 0.41

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
SCHEMBL25244843 1.00 ATR (0.44) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL25283716 1.00 ATR (0.44) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL336502 0.80 MTOR (0.53) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL2674871 0.80 MTOR (0.53) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL336501 0.80 MTOR (0.53) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL30259299 0.80 MTOR (0.53) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL25287162 0.79 ATR (0.60) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL25242945 0.79 ATR (0.46) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL25287163 0.79 ATR (0.60) ATRPDE4DPDCD1CD274CHEK1
SCHEMBL25286329 0.79 ATR (0.46) ATRPDE4DPDCD1CD274CHEK1

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-116761804-B Substituted condensed heterocyclic compound, preparation method and application thereof 上海安诺达生物科技有限公司 2025-02-18 — — CN disclosed
CN-116761804-A Substituted condensed heterocyclic compound, preparation method and application thereof 上海安诺达生物科技有限公司 2023-09-15 — — CN disclosed
CN-116283960-A Substituted condensed heterocyclic compound, preparation method and application thereof 上海安诺达生物科技有限公司 2023-06-23 — — CN disclosed
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