SCHEMBL29313396

SCHEMBL29313396

CN(C(=O)Oc1c(/C(C=N)=C/NCCN2CCC(F)C2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.35
CCR2 P41597 3/20 0.32
KCNH2 Q12809 1/20 0.31
TACR2 P21452 2/20 0.31
TACR1 P25103 2/20 0.31
SLC6A1 P30531 1/20 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
SCHEMBL29313213 0.91 POLQ (0.36) POLQTACR1
SCHEMBL29313248 0.90 POLQ (0.34) POLQCCR2TACR2TACR1
SCHEMBL29313217 0.90 CCR2 (0.38) POLQCCR2TACR2TACR1
SCHEMBL29313218 0.88 TACR1 (0.36) POLQCCR2TACR1
SCHEMBL29313254 0.88 POLQ (0.36) POLQ
SCHEMBL29314250 0.85 CCR2 (0.32) CCR2KCNH2
SCHEMBL29313246 0.85 POLQ (0.34) POLQ
SCHEMBL29313262 0.85 POLQ (0.41) POLQCCR2TACR1
SCHEMBL29313340 0.84 POLQ (0.39) POLQTACR1
SCHEMBL29313436 0.84 POLQ (0.40) POLQCCR2TACR1

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