SCHEMBL29861982

SCHEMBL29861982

O=C1Cc2ncc(Br)cc2C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 16/20 0.47
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
FYN P06241 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL23092822 1.00 TDP2 (0.47) TDP2CASP3CASP7CASP9CASP6
SCHEMBL25432944 0.79 TDP2 (0.40) TDP2CASP3CASP7CASP9CASP6
SCHEMBL660464 0.79 AHR (0.49) TDP2AURKADAPK3JAK2PRKD3
SCHEMBL17141532 0.75 PARP10 (0.39) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL30099750 0.72 DYRK1A (0.35) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL30780152 0.72 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL30285326 0.72 PARP10 (0.51) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL5863725 0.72 PARP10 (0.51) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL22904233 0.72 TDP2 (0.51) TDP2CASP3CASP7CASP9CASP6
SCHEMBL20672203 0.72 NPSR1 (0.41) TDP2AURKADAPK3JAK2PRKD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305031-A1 7-MORPHOLINO-L,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR Admare Therapeutics Society (CA) 2024-01-17 EP disclosed
EP-4305032-A1 7-MORPHOLINO-1,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR Admare Therapeutics Society (CA) 2024-01-17 EP disclosed
WO-2022187965-A1 7-MORPHOLINO-1,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR adMare Therapeutics Society (CA) 2022-09-15 WO disclosed
WO-2022187964-A1 7-MORPHOLINO-L,6-NAPHTHYRIDIN-5-YL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS DNA-PK INHIBITOR adMare Therapeutics Society (CA) 2022-09-15 WO disclosed