SCHEMBL24501625

SCHEMBL24501625

COc1cnc(Cl)cc1-c1cc(CBr)ncc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 16/20 0.45
▸ KDM4E B2RXH2 1/20 0.40
▸ DHFR P00374 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL29694670 1.00 POLQ (0.45) POLQKDM4EDHFRMRGPRX4
SCHEMBL30016043 0.89 POLQ (0.45) POLQKDM4EDHFR
SCHEMBL24770262 0.89 POLQ (0.45) POLQKDM4EDHFR
SCHEMBL24770258 0.88 POLQ (0.45) POLQKDM4EDHFRMRGPRX4
SCHEMBL24500340 0.82 POLQ (0.59) POLQDHFR
SCHEMBL24501363 0.82 POLQ (0.47) POLQKDM4EDHFR
SCHEMBL24769346 0.80 PDCD1 (0.41) POLQ
SCHEMBL24769644 0.79 POLQ (0.63) POLQKDM4EDHFRMRGPRX4
SCHEMBL31032138 0.79 POLQ (0.63) POLQKDM4EDHFRMRGPRX4
SCHEMBL30858984 0.79 POLQ (0.51) POLQDHFR

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-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 — — WO disclosed
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