SCHEMBL23740732

SCHEMBL23740732

CCN1CCC(C(=O)Nc2cc3cc(/C(=C/N)N(C)N)ccc3cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
GSK3B P49841 19/20 0.50
DYRK1A Q13627 19/20 0.50
WNT1 P04628 14/20 0.49
DYRK3 O43781 1/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
DYRK2 Q92630 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK4 Q9NR20 1/20 0.48
DYRK1B Q9Y463 1/20 0.48

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
SCHEMBL23740943 0.90 GSK3B (0.62) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23740765 0.90 GSK3B (0.61) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL24219040 0.90 GSK3B (0.41) ABL1GSK3BDYRK1AWNT1DYRK3
SCHEMBL23741020 0.90 DYRK1A (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740986 0.88 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23741045 0.88 GSK3B (0.63) GSK3BDYRK1AWNT1
SCHEMBL23740812 0.87 DYRK1A (0.54) ABL1GSK3BDYRK1AWNT1
SCHEMBL23741149 0.87 DYRK1A (0.59) ABL1GSK3BDYRK1AWNT1DYRK3
SCHEMBL23740820 0.87 GSK3B (0.52) ABL1GSK3BDYRK1AWNT1
SCHEMBL23741024 0.86 GSK3B (0.55) ABL1GSK3BDYRK1AWNT1CLK2

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-3448838-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2021-08-11 EP disclosed