SCHEMBL23740894

SCHEMBL23740894

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.36
HCAR3 P49019 1/20 0.34
DYRK1A Q13627 12/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ABL1 P00519 1/20 0.33
USP30 Q70CQ3 1/20 0.32
GSK3B P49841 9/20 0.31
WNT1 P04628 3/20 0.31
CLK2 P49760 2/20 0.31
CLK3 P49761 2/20 0.31
APP P05067 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
SCHEMBL24219038 0.79 GSK3B (0.38) DYRK1AABL1GSK3BWNT1
SCHEMBL24218840 0.77 ABL1 (0.38) DYRK1AABL1GSK3BWNT1
SCHEMBL23048669 0.74 NNMT (0.38) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL23741148 0.73 HCAR3 (0.36) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL2671513 0.73 HCAR3 (0.60) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL23048918 0.73 HCAR3 (0.33) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL23048657 0.73 NNMT (0.38) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL23048847 0.73 HCAR3 (0.33) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL24219047 0.72 NNMT (0.37) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL23740976 0.72 HCAR3 (0.33) NNMTHCAR3DYRK1AACACBACACA

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