SCHEMBL30017632

SCHEMBL30017632

COC(=O)c1ccncc1-c1cc(Cl)ncc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLQ O75417 11/20 0.44
▸ LMNA P02545 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP46A1 Q9Y6A2 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
SCHEMBL24769379 1.00 KDM4E (0.47) KDM4EALDH1A1GLAGAAPOLQ
SCHEMBL30017421 0.88 KDM4C (0.46) KDM4EALDH1A1POLQKCNMA1KDM4C
SCHEMBL24770954 0.88 KDM4C (0.46) KDM4EALDH1A1POLQKCNMA1KDM4C
SCHEMBL31318712 0.83 KCNMA1 (0.54) KDM4EALDH1A1GLAGAALMNA
SCHEMBL31006665 0.81 KDM4E (0.44) KDM4EALDH1A1GLAGAAPOLQ
SCHEMBL31006667 0.81 KDM4E (0.44) KDM4EALDH1A1GLAGAAPOLQ
SCHEMBL29276870 0.81 POLQ (0.44) ALDH1A1GAAPOLQKMT2AMEN1
SCHEMBL24770304 0.81 POLQ (0.53) KDM4EALDH1A1GAAPOLQKMT2A
SCHEMBL31541686 0.79 POLQ (0.42) GAAPOLQKMT2AMEN1
SCHEMBL24769137 0.79 POLQ (0.70) POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594316-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (1,3-THIAZOLYL)](SUBSTITUTED)CARBOXAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING THE AMIDE COMPOUNDS AND OF THEIR USE Repare Therapeutics Inc. (CA) 2025-08-06 — — EP disclosed
WO-2024197401-A1 1,3,4-THIADIAZOL-2-YL CARBOXAMIDE AND 1,3-THIAZOL-2-YL CARBOXAMIDE COMPOUNDS AND USES THEREOF AS INHIBITORS OF HUMAN POLYMERASE THETA REPARE THERAPEUTICS INC. (CA) 2024-10-03 — — WO disclosed
EP-4408841-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (THIAZOLYL)])(SUBSTITUTED)CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR INHIBITING HUMAN POLYMERASE THETA Repare Therapeutics Inc. (CA) 2024-08-07 — — EP disclosed
EP-4352055-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2024-04-17 — — EP disclosed
WO-2024069592-A1 N-(5-SUBSTITUTED-[(L,3,4-THIADIAZOLYL) OR (L,3-THIAZOLYL)](SUBSTITUTED)CARBOXAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING THE AMIDE COMPOUNDS AND OF THEIR USE REPARE THERAPEUTICS INC. (CA) 2024-04-04 — — WO disclosed
WO-2023050007-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (THIAZOLYL)])(SUBSTITUTED)CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR INHIBITING HUMAN POLYMERASE THETA REPARE THERAPEUTICS INC. (CA) 2023-04-06 — — WO disclosed
WO-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 — — WO disclosed
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