SCHEMBL29861506

SCHEMBL29861506

O=C(O)NC1CCC(Oc2nc(Cl)cc3ncc(I)cc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
PIK3CD O00329 2/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
LDHA P00338 1/20 0.34
TYK2 P29597 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
TNKS O95271 5/20 0.32
PARP1 P09874 3/20 0.32
PARP2 Q9UGN5 3/20 0.32
IP6K1 Q92551 1/20 0.32
HPGDS O60760 2/20 0.32
EPHX2 P34913 2/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL27002902 1.00 RAB9A (0.35) RAB9APIK3CDGAAKMT2ALDHA
SCHEMBL29338043 0.87 CACNB4 (0.40) PIK3CDTYK2HPGDSEPHX2
SCHEMBL27002721 0.87 CACNB4 (0.40) PIK3CDTYK2HPGDSEPHX2
SCHEMBL29861511 0.87 CACNB4 (0.40) PIK3CDTYK2HPGDSEPHX2
SCHEMBL29342546 0.83 MAPK1 (0.33) PDGFRBPDGFRA
SCHEMBL29862040 0.81 GBA1 (0.38) GAA
SCHEMBL27144703 0.81 GBA1 (0.38) GAA
SCHEMBL27002958 0.81 GBA1 (0.38) GAA
SCHEMBL29338042 0.81 IRAK1 (0.38)
SCHEMBL29861786 0.81 IRAK1 (0.38)

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-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
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