SCHEMBL29930728

SCHEMBL29930728

O=C(NCc1n[nH]c(-c2cccs2)n1)c1nccnc1N1CCC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 4/20 0.37
FEN1 P39748 4/20 0.37
ERCC4 Q92889 4/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAP3K12 Q12852 1/20 0.36
GRK6 P43250 1/20 0.35
DNASE1 P24855 1/20 0.35
KCNH2 Q12809 3/20 0.35
HDAC1 Q13547 3/20 0.35
GRM4 Q14833 1/20 0.34
HPGDS O60760 1/20 0.34

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
SCHEMBL23611743 1.00 ERCC1 (0.37) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623421 0.95 MYC (0.38) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623315 0.95 ERCC1 (0.38) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623314 0.93 ERCC1 (0.39) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623340 0.89 ERCC1 (0.35) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623266 0.83 HPGD (0.40) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23611763 0.79 HPGD (0.41) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL29930610 0.79 HPGD (0.41) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623261 0.78 HPGD (0.41) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL23623298 0.77 HPGD (0.40) ERCC1FEN1ERCC4HPGDALDH1A1

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
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed