SCHEMBL23048909

SCHEMBL23048909

C=C(Nc1cc2cc(C3=CC=CC3)ccc2cn1)c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.42
GSK3B P49841 18/20 0.42
WNT1 P04628 8/20 0.42
ABL1 P00519 1/20 0.39

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
SCHEMBL23916135 0.87 DYRK1A (0.43) DYRK1AGSK3BWNT1ABL1
SCHEMBL19546592 0.83 GSK3B (0.65) DYRK1AGSK3BWNT1
SCHEMBL23916074 0.82 DYRK1A (0.59) DYRK1AGSK3BWNT1
SCHEMBL23916635 0.81 DYRK1A (0.47) DYRK1AGSK3BWNT1ABL1
SCHEMBL23916310 0.80 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL23916048 0.80 DYRK1A (0.61) DYRK1AGSK3BWNT1
SCHEMBL23916185 0.77 DYRK1A (0.37) DYRK1AGSK3BWNT1ABL1
SCHEMBL23916735 0.77 DYRK1A (0.37) DYRK1AGSK3BWNT1ABL1
SCHEMBL19546742 0.74 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL19546752 0.74 GSK3B (0.62) DYRK1AGSK3BWNT1

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-3448386-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED LLC (US) 2021-03-03 EP disclosed