SCHEMBL24219656

SCHEMBL24219656

C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)C1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.70
DYRK1A Q13627 20/20 0.70
WNT1 P04628 13/20 0.67

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
SCHEMBL24219581 0.92 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL24219031 0.92 GSK3B (0.80) GSK3BDYRK1AWNT1
SCHEMBL24219479 0.91 GSK3B (0.66) GSK3BDYRK1AWNT1
SCHEMBL19516492 0.90 GSK3B (0.86) GSK3BDYRK1AWNT1
SCHEMBL24219071 0.89 GSK3B (0.70) GSK3BDYRK1AWNT1
SCHEMBL24219277 0.89 GSK3B (0.82) GSK3BDYRK1AWNT1
SCHEMBL24219399 0.88 GSK3B (0.63) GSK3BDYRK1AWNT1
SCHEMBL24219011 0.88 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL24219658 0.88 GSK3B (0.70) GSK3BDYRK1AWNT1
SCHEMBL24219669 0.85 GSK3B (0.61) 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