SCHEMBL24810137

SCHEMBL24810137

C[C@@H]1COCCN1c1nc(Cl)nc2c1cnn2CS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 11/20 0.46
▸ ATRIP Q8WXE1 9/20 0.46
▸ MTOR P42345 10/20 0.43
▸ LCK P06239 1/20 0.41
▸ CHEK1 O14757 1/20 0.39

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
SCHEMBL30443465 0.84 ATR (0.61) ATRATRIPMTORLCK
SCHEMBL25287137 0.84 ATR (0.61) ATRATRIPMTORLCK
SCHEMBL25287138 0.84 ATR (0.61) ATRATRIPMTORLCK
SCHEMBL24810136 0.83 MTOR (0.43) ATRATRIPMTOR
SCHEMBL25080287 0.82 ATR (0.43) ATRATRIPMTOR
SCHEMBL25080342 0.82 ATR (0.50) ATRATRIPMTORLCKCHEK1
SCHEMBL24809858 0.81 ATR (0.45) ATRATRIPMTORLCKCHEK1
SCHEMBL24811642 0.81 ATR (0.45) ATRATRIPMTORLCK
SCHEMBL25080754 0.80 ATR (0.51) ATRATRIPMTORLCKCHEK1
SCHEMBL25080311 0.80 ATR (0.51) ATRATRIPMTORLCKCHEK1

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-2022268025-A1 ATR INHIBITOR AND USE THEREOF 成都苑东生物制药股份有限公司 2022-12-29 — — WO disclosed
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