SCHEMBL23916680

SCHEMBL23916680

C/C=C(\N)c1ccc2cnc(N/C(=C/C)c3ccc(CC(C)C)cc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.45
DYRK1A Q13627 11/20 0.34
GSK3B P49841 8/20 0.34
WNT1 P04628 3/20 0.34
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34

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
SCHEMBL23916726 0.74 ABL1 (0.40) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL23916234 0.72 ABL1 (0.41) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL23916169 0.65 ABL1 (0.45) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL19546601 0.65 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219230 0.64 DYRK1A (0.34) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL24219758 0.62 DYRK1A (0.37) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL23740995 0.62 MAP4K4 (0.34) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL20938733 0.62 NNMT (0.39) ABL1DYRK1AGSK3BWNT1CLK2
SCHEMBL9939360 0.62 ABL1 (1.00) ABL1
SCHEMBL14511412 0.62 PDPK1 (0.47) ABL1

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