SCHEMBL30443438

SCHEMBL30443438

C[C@@H]1COCCN1c1nc(Cl)cc2c1ccn2S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 19/20 0.56
▸ ATRIP Q8WXE1 19/20 0.56
▸ MTOR P42345 3/20 0.52
▸ LCK P06239 2/20 0.52
▸ 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
SCHEMBL25293141 1.00 ATR (0.56) ATRATRIPMTORLCKNUAK1
SCHEMBL25293142 1.00 ATR (0.56) ATRATRIPMTORLCKNUAK1
SCHEMBL25080690 0.82 ATR (0.68) ATRATRIPMTORLCKNUAK1
SCHEMBL25080698 0.82 ATR (0.68) ATRATRIPMTORLCKNUAK1
SCHEMBL25287943 0.81 ATR (0.56) ATRATRIPMTORLCKNUAK1
SCHEMBL25249667 0.81 ATR (0.52) ATRATRIPMTORLCKNUAK1
SCHEMBL30443562 0.81 ATR (0.52) ATRATRIPMTORLCKNUAK1
SCHEMBL25287322 0.81 ATR (0.52) ATRATRIPMTORLCKNUAK1
SCHEMBL25246480 0.81 ATR (0.56) ATRATRIPMTORLCKNUAK1
SCHEMBL30443862 0.81 ATR (0.56) ATRATRIPMTORLCKNUAK1

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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