SCHEMBL31363694

SCHEMBL31363694

NC(=O)c1cccc2nc(CC(F)(F)F)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.44
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
PRKX P51817 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MST1R Q04912 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL7003014 0.81 PLK4 (0.45) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL14347043 0.81 DDAH1 (0.46) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL7321877 0.78 PARP1 (0.61) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL7363561 0.78 PLK4 (0.42) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL1933250 0.77 PLK4 (0.50) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL1683119 0.76 PARP1 (0.46) PARP1
SCHEMBL871830 0.73 PARP1 (0.58) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL7362374 0.73 PARP1 (0.40) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL14336653 0.72 PARP1 (0.49) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL7583436 0.72 PARP1 (0.66) PARP1PLK4MAP4K4PRKXROCK1

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed