SCHEMBL23740976

SCHEMBL23740976

C=C(C)N(C)/C(=C\C)c1ccc2cnc(NC)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
DYRK1A Q13627 6/20 0.32
ABL1 P00519 1/20 0.32
NNMT P40261 3/20 0.32
WNT1 P04628 4/20 0.31
CLK2 P49760 4/20 0.31
CLK3 P49761 4/20 0.31
GSK3B P49841 4/20 0.31
TTK P33981 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL23740722 0.87 DYRK1A (0.32) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23048847 0.84 HCAR3 (0.33) HCAR3ACACBACACADYRK1AABL1
SCHEMBL23048670 0.82 DYRK1A (0.31) ACACBACACADYRK1AWNT1GSK3B
SCHEMBL23740771 0.81 DYRK1A (0.36) HCAR3ACACBACACADYRK1AABL1
SCHEMBL23740730 0.77 NNMT (0.36) HCAR3ACACBACACADYRK1AABL1
SCHEMBL23048883 0.77 NNMT (0.36) HCAR3ACACBACACADYRK1AABL1
SCHEMBL23048630 0.77 HCAR3 (0.34) HCAR3ACACBACACADYRK1AABL1
SCHEMBL23048641 0.77 ACACB (0.32) HCAR3ACACBACACADYRK1AABL1
SCHEMBL23048918 0.76 HCAR3 (0.33) HCAR3ACACBACACADYRK1AABL1
SCHEMBL20938979 0.75 DYRK1A (0.38) DYRK1AWNT1CLK2CLK3GSK3B

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