SCHEMBL29315670

SCHEMBL29315670

CC(C)(C)OC(=O)n1ccn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(CC#N)c2ccc(F)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLQ O75417 9/20 0.35
TACR1 P25103 3/20 0.30

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
SCHEMBL31009196 1.00 POLQ (0.35) POLQTACR1
SCHEMBL29314473 0.86 POLQ (0.39) POLQTACR1
SCHEMBL30847572 0.86 POLQ (0.39) POLQTACR1
SCHEMBL31009150 0.84 POLQ (0.41) POLQTACR1
SCHEMBL29315725 0.81 POLQ (0.38) POLQTACR1
SCHEMBL31009155 0.81 POLQ (0.38) POLQTACR1
SCHEMBL29313609 0.75 POLQ (0.40) POLQ
SCHEMBL31009168 0.73 POLQ (0.34) POLQ
SCHEMBL29314470 0.72 STS (0.35) TACR1
SCHEMBL29313706 0.71 POLQ (0.35) POLQTACR1

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 2 patents. 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
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