SCHEMBL23740771

SCHEMBL23740771

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.36
GSK3B P49841 10/20 0.36
WNT1 P04628 6/20 0.36
CLK2 P49760 4/20 0.34
CLK3 P49761 3/20 0.34
HCAR3 P49019 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ABL1 P00519 1/20 0.33
NNMT P40261 2/20 0.33
MAP4K4 O95819 2/20 0.32
TYK2 P29597 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MINK1 Q8N4C8 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KB1 P23443 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL23048847 0.82 HCAR3 (0.33) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740976 0.81 HCAR3 (0.33) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048670 0.79 DYRK1A (0.31) DYRK1AGSK3BWNT1USP30ACACB
SCHEMBL23740730 0.78 NNMT (0.36) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048823 0.75 NNMT (0.34) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL4404906 0.74 HCAR3 (0.44) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916312 0.73 ACACB (0.35) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219443 0.73 ACACB (0.35) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048883 0.73 NNMT (0.36) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048630 0.73 HCAR3 (0.34) 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 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