SCHEMBL29312657

SCHEMBL29312657

CC(C)CC#Cc1cc(N)nn1C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 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
SCHEMBL10953037 0.69 — —
SCHEMBL29312721 0.66 HTR2A (0.33) POLQ
SCHEMBL11353 0.63 CYP2A6 (0.44) —
SCHEMBL2508297 0.62 NOS3 (0.33) —
SCHEMBL10130898 0.61 GRM5 (0.48) —
SCHEMBL19992372 0.60 — —
SCHEMBL20885888 0.60 RECQL (0.34) —
SCHEMBL174459 0.59 — —
SCHEMBL23252618 0.58 — —
Hydrochloric Acid SCHEMBL22436806 0.58 GAA (0.41) —

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-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 — — WO disclosed
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