SCHEMBL23048847

SCHEMBL23048847

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
DYRK1A Q13627 10/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ABL1 P00519 1/20 0.33
NNMT P40261 3/20 0.33
GSK3B P49841 8/20 0.32
WNT1 P04628 4/20 0.32
CLK2 P49760 3/20 0.32
CLK3 P49761 3/20 0.32
TTK P33981 2/20 0.32
USP30 Q70CQ3 1/20 0.31
MTOR P42345 1/20 0.30

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
SCHEMBL23740976 0.84 HCAR3 (0.33) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23740771 0.82 DYRK1A (0.36) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23740730 0.78 NNMT (0.36) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23048634 0.77 TTK (0.33) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23048670 0.76 DYRK1A (0.31) DYRK1AACACBACACAGSK3BWNT1
SCHEMBL24219443 0.75 ACACB (0.35) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23048661 0.75 HCAR3 (0.34) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23916312 0.75 ACACB (0.35) HCAR3DYRK1AACACBACACAABL1
SCHEMBL23048658 0.75 HCAR3 (0.34) HCAR3DYRK1AACACBACACAABL1
SCHEMBL20938863 0.74 DYRK1A (0.39) DYRK1AGSK3BWNT1CLK2CLK3

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