SCHEMBL23916185

SCHEMBL23916185

C=C(N)S/C(=C\C)c1ccc2cnc(NC(=C)c3ccc(CC4CCNCC4)cc3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.37
GSK3B P49841 15/20 0.37
WNT1 P04628 7/20 0.36
TBK1 Q9UHD2 1/20 0.35
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL23916735 0.81 DYRK1A (0.37) DYRK1AGSK3BWNT1ABL1
SCHEMBL23048909 0.77 DYRK1A (0.42) DYRK1AGSK3BWNT1ABL1
SCHEMBL19546592 0.77 GSK3B (0.65) DYRK1AGSK3BWNT1
SCHEMBL23916074 0.76 DYRK1A (0.59) DYRK1AGSK3BWNT1
SCHEMBL23916135 0.76 DYRK1A (0.43) DYRK1AGSK3BWNT1ABL1
SCHEMBL23916939 0.76 DYRK1A (0.44) DYRK1AGSK3BWNT1ABL1
SCHEMBL23916635 0.75 DYRK1A (0.47) DYRK1AGSK3BWNT1ABL1
SCHEMBL23916310 0.75 GSK3B (0.59) DYRK1AGSK3BWNT1
SCHEMBL23916048 0.74 DYRK1A (0.61) DYRK1AGSK3BWNT1
SCHEMBL23048669 0.74 NNMT (0.38) DYRK1AGSK3BWNT1ABL1

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