SCHEMBL30640202

SCHEMBL30640202

COc1cnc(Cl)cc1-c1cc(COC2CC2)ncc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 18/20 0.46
▸ DHFR P00374 1/20 0.37
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL24501363 0.91 POLQ (0.47) POLQDHFR
SCHEMBL24770927 0.88 POLQ (0.45) POLQ
SCHEMBL30017455 0.80 POLQ (0.75) POLQ
SCHEMBL24769173 0.80 POLQ (0.75) POLQ
SCHEMBL27294326 0.77 POLQ (0.58) POLQDHFR
SCHEMBL24770258 0.77 POLQ (0.45) POLQDHFR
SCHEMBL31032124 0.76 POLQ (0.80) POLQ
SCHEMBL24769604 0.75 POLQ (0.44) POLQDHFR
SCHEMBL29261657 0.73 POLQ (0.46) POLQDHFR
SCHEMBL24770262 0.73 POLQ (0.45) 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
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
Send feedback