SCHEMBL30809709

SCHEMBL30809709

O=C(O)c1ccccc1-c1cccc2cn[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.58
CHEK1 O14757 1/20 0.58
AURKA O14965 1/20 0.58
DAPK3 O43293 1/20 0.58
MAP4K4 O95819 1/20 0.58
CSF1R P07333 1/20 0.58
RET P07949 1/20 0.58
FGFR1 P11362 1/20 0.58
PDGFRA P16234 1/20 0.58
LTK P29376 1/20 0.58
KDR P35968 1/20 0.58
MAP2K2 P36507 1/20 0.58
FLT3 P36888 1/20 0.58
CSNK1A1 P48729 1/20 0.58
PRKX P51817 1/20 0.58
CDK5 Q00535 1/20 0.58
MAP2K1 Q02750 1/20 0.58
MST1R Q04912 1/20 0.58
PTK2 Q05397 1/20 0.58
BTK Q06187 1/20 0.58

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
SCHEMBL29520722 0.85 PLK4 (0.72) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL259689 0.85 PLK4 (0.72) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL3064844 0.81 NOS1 (0.63) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL27690141 0.80 PLK4 (0.47) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL4752843 0.76 NOS1 (0.53) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL3732430 0.75 METAP2 (0.61) AURKACSF1RKDRFLT3ROCK1
SCHEMBL10593966 0.75 DAPK3 (0.54) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL20616534 0.73 PLK4 (0.70) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL2264295 0.73 PLK4 (1.00) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL29696521 0.73 PLK4 (1.00) PLK4CHEK1AURKADAPK3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584261-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2025-07-16 EP claimed
WO-2024054624-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-14 WO claimed
WO-2025193777-A1 PHARMACEUTICAL COMPOSITIONS OF ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-09-18 WO disclosed
EP-4584261-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2025-07-16 EP disclosed
WO-2024054624-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-14 WO disclosed