SCHEMBL25790786

SCHEMBL25790786

CCS(=O)(=O)n1ccc2c(N3CCOC[C@H]3C)nc(Cl)nc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.64
▸ ATRIP Q8WXE1 20/20 0.64
▸ LCK P06239 2/20 0.51
▸ MTOR P42345 2/20 0.51
▸ NUAK1 O60285 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PRKDC P78527 1/20 0.51
▸ ATM Q13315 1/20 0.51

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
SCHEMBL25293810 0.90 ATR (0.53) ATRATRIPLCKMTORNUAK1
SCHEMBL30443518 0.90 ATR (0.53) ATRATRIPLCKMTORNUAK1
SCHEMBL31362629 0.90 ATR (0.53) ATRATRIPLCKMTORNUAK1
SCHEMBL25080690 0.89 ATR (0.68) ATRATRIPLCKMTORNUAK1
SCHEMBL25080698 0.89 ATR (0.68) ATRATRIPLCKMTORNUAK1
SCHEMBL25790818 0.89 ATR (0.64) ATRATRIPLCKMTORNUAK1
SCHEMBL25247608 0.88 ATR (0.52) ATRATRIPLCKMTORNUAK1
SCHEMBL30443476 0.88 ATR (0.52) ATRATRIPLCKMTORNUAK1
SCHEMBL25288070 0.88 ATR (0.52) ATRATRIPLCKMTORNUAK1
SCHEMBL25080340 0.88 ATR (0.64) ATRATRIPLCKMTORNUAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116594-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海安诺达生物科技有限公司 2023-06-29 — — WO disclosed
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