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Sugi Predict / Compounds / SCHEMBL24772823

SCHEMBL24772823

SCHEMBL24772823

COCc1ccc(-c2ccc3ncc4c(c3c2)C2(CCOCC2)C(=O)N4CCN(C)CCCOc2ccc(-c3ccc4ncc5c(c4c3)C3(CCN(C(=O)OC(C)C)CC3)C(=O)N5C)cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.41
▸ PIK3CA P42336 11/20 0.41
▸ MTOR P42345 11/20 0.41
▸ ATR Q13535 4/20 0.41
▸ PRKDC P78527 6/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ PIK3CG P48736 3/20 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
SCHEMBL21851039 0.84 ATM (0.52) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851140 0.81 ATM (0.46) ATMPIK3CAMTORATRPRKDC
SCHEMBL24772391 0.80 ATM (0.48) ATMPIK3CAMTORATRPRKDC
SCHEMBL24772294 0.79 ATM (0.45) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851124 0.78 ATM (0.53) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851208 0.78 ATM (0.57) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851114 0.78 ATM (0.63) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851126 0.76 ATM (0.51) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851080 0.75 ATM (0.55) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851139 0.75 ATM (0.54) ATMPIK3CAMTORATRPRKDC

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
EP-3845532-B1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF MEDSHINE DISCOVERY INC (CN) 2022-12-21 — — EP disclosed
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