SCHEMBL29313609

SCHEMBL29313609

CN(C(=O)Oc1c(-n2ccn(C#N)c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 4/20 0.40
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
LIPE Q05469 4/20 0.31
CMA1 P23946 1/20 0.31
FFAR4 Q5NUL3 2/20 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
SCHEMBL29313612 0.89 POLQ (0.38) POLQLIPECMA1FFAR4
SCHEMBL29313613 0.88 POLQ (0.38) POLQCMA1FFAR4
SCHEMBL29313610 0.88 POLQ (0.39) POLQCMA1FFAR4
SCHEMBL29313663 0.87 POLQ (0.36) POLQCMA1
SCHEMBL29313664 0.84 POLQ (0.35) POLQ
SCHEMBL29313667 0.83 POLQ (0.34) POLQLIPE
SCHEMBL30847572 0.82 POLQ (0.39) POLQLIPECMA1
SCHEMBL29314473 0.82 POLQ (0.39) POLQLIPECMA1
SCHEMBL29313708 0.82 POLQ (0.38) POLQLIPE
SCHEMBL31009145 0.81 POLQ (0.44) POLQLIPECMA1FFAR4

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