SCHEMBL23916223

SCHEMBL23916223

CN1CC=C(c2cc(O)ccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.57
WNT1 P04628 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL19546661 0.82 QDPR (0.41) QDPRWNT1GSK3BDYRK1A
SCHEMBL23048767 0.82 WNT1 (0.41) QDPRWNT1GSK3BDYRK1A
SCHEMBL20950816 0.81 JMJD6 (0.55) WNT1GSK3BDYRK1A
SCHEMBL23916632 0.81 QDPR (0.40) QDPRWNT1GSK3BDYRK1A
SCHEMBL23048820 0.80 DYRK1A (0.51) QDPRWNT1GSK3BDYRK1A
SCHEMBL21037757 0.80 SCN9A (0.41) QDPRWNT1GSK3BDYRK1A
SCHEMBL23048814 0.80 QDPR (0.41) QDPRWNT1GSK3BDYRK1A
SCHEMBL8488039 0.78 SIGMAR1 (0.53) QDPR
SCHEMBL20950324 0.76 DYRK1A (0.48) WNT1GSK3BDYRK1A
SCHEMBL19035702 0.74 QDPR (0.44) QDPR

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
EP-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed