SCHEMBL29313263

SCHEMBL29313263

CN(C(=O)Oc1c(/C(C=N)=C/NCC#N)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.40
GPBAR1 Q8TDU6 1/20 0.32
AR P10275 1/20 0.32
LIPE Q05469 5/20 0.32

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
SCHEMBL29313330 0.91 POLQ (0.39) POLQLIPE
SCHEMBL29313298 0.89 POLQ (0.43) POLQLIPE
SCHEMBL29313262 0.89 POLQ (0.41) POLQLIPE
SCHEMBL29313436 0.88 POLQ (0.40) POLQLIPE
SCHEMBL29313435 0.88 POLQ (0.40) POLQLIPE
SCHEMBL29313380 0.88 POLQ (0.36) POLQAR
SCHEMBL29313294 0.87 POLQ (0.39) POLQLIPE
SCHEMBL29313439 0.87 POLQ (0.39) POLQLIPE
SCHEMBL29313334 0.87 POLQ (0.39) POLQLIPE
SCHEMBL29313327 0.87 POLQ (0.37) 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 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