SCHEMBL24810136

SCHEMBL24810136

CSCn1ncc2c(N3CCOC[C@H]3C)nc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 17/20 0.43
▸ ATR Q13535 2/20 0.40
▸ ATRIP Q8WXE1 1/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PIK3CA P42336 1/20 0.37

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
SCHEMBL25080287 0.86 ATR (0.43) MTORATRATRIPPIK3CA
SCHEMBL24810137 0.83 ATR (0.46) MTORATRATRIP
SCHEMBL24811148 0.82 PDE2A (0.48) MTORATRATRIP
SCHEMBL25080796 0.81 HRH3 (0.45) MTORATRATRIP
SCHEMBL25080710 0.81 HRH3 (0.45) MTORATRATRIP
SCHEMBL25080270 0.79 MTOR (0.48) MTORATRATRIPPIK3CA
SCHEMBL25080301 0.77 MTOR (0.46) MTORATRATRIPPIK3CA
SCHEMBL25287138 0.77 ATR (0.61) MTORATRATRIPPIK3CA
SCHEMBL25287137 0.77 ATR (0.61) MTORATRATRIPPIK3CA
SCHEMBL25080627 0.77 MTOR (0.46) MTORATRATRIPPIK3CA

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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