SCHEMBL24219787

SCHEMBL24219787

C=C(CN1CCN(C2CC2)CC1)Nc1cc2cc(-c3cnn(C)c3)ccc2cn1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.80
DYRK1A Q13627 20/20 0.80
WNT1 P04628 17/20 0.80

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
SCHEMBL24219606 0.89 GSK3B (0.78) GSK3BDYRK1AWNT1
SCHEMBL30005226 0.89 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515335 0.89 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL24219300 0.89 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL24219144 0.89 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL24219611 0.89 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL24219262 0.88 GSK3B (0.78) GSK3BDYRK1AWNT1
SCHEMBL24219304 0.88 GSK3B (0.78) GSK3BDYRK1AWNT1
SCHEMBL24219484 0.87 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL24219069 0.86 GSK3B (0.80) GSK3BDYRK1AWNT1

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-3943086-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BioSplice Therapeutics, Inc. (US) 2022-01-26 EP disclosed