SCHEMBL29313485

SCHEMBL29313485

CN(C(=O)Oc1c(/C(C=N)=C/NC2CCC(=O)NC2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 13/20 0.37
DDB1 Q16531 5/20 0.35
POLQ O75417 2/20 0.34
APOL1 O14791 1/20 0.32
LIPE Q05469 1/20 0.31
TACR2 P21452 1/20 0.30
TACR1 P25103 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
SCHEMBL29313487 0.93 POLQ (0.35) POLQ
SCHEMBL29313500 0.83 POLQ (0.36) POLQLIPETACR2TACR1
SCHEMBL29313440 0.82 POLQ (0.37) POLQLIPE
SCHEMBL29313554 0.82 POLQ (0.36) POLQLIPETACR2TACR1
SCHEMBL29313484 0.80 POLQ (0.35) POLQ
SCHEMBL29313482 0.79 POLQ (0.39) POLQLIPE
SCHEMBL29313572 0.79 POLQ (0.39) POLQLIPE
SCHEMBL29313262 0.78 POLQ (0.41) POLQLIPETACR1
SCHEMBL29313298 0.78 POLQ (0.43) POLQLIPETACR1
SCHEMBL29313507 0.78 POLQ (0.39) POLQLIPE

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