SCHEMBL20938733

SCHEMBL20938733

CNc1cc2cc(/C(N)=C/N(C)N)ccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.39
HCAR3 P49019 1/20 0.34
DYRK1A Q13627 10/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ABL1 P00519 1/20 0.33
APP P05067 1/20 0.33
GSK3B P49841 8/20 0.32
WNT1 P04628 5/20 0.32
CLK2 P49760 3/20 0.32
CLK3 P49761 3/20 0.32
TTK P33981 1/20 0.32
USP30 Q70CQ3 1/20 0.32
NUDT1 P36639 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
SCHEMBL23048883 0.87 NNMT (0.36) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL24219714 0.86 WNT1 (0.31) DYRK1AABL1GSK3BWNT1CLK2
SCHEMBL23740805 0.86 DYRK1A (0.33) NNMTDYRK1AABL1GSK3BWNT1
SCHEMBL24219230 0.85 DYRK1A (0.34) DYRK1AABL1GSK3BWNT1CLK2
SCHEMBL23048823 0.84 NNMT (0.34) NNMTHCAR3DYRK1AACACBACACA
SCHEMBL23740995 0.83 MAP4K4 (0.34) HCAR3DYRK1AABL1GSK3BWNT1
SCHEMBL24218981 0.83 WNT1 (0.32) DYRK1AABL1GSK3BWNT1CLK2
SCHEMBL23740780 0.81 GSK3B (0.53) DYRK1AABL1GSK3BWNT1
SCHEMBL24219437 0.81 GSK3B (0.40) DYRK1AABL1GSK3BWNT1
SCHEMBL23740828 0.81 GSK3B (0.51) DYRK1AABL1GSK3BWNT1

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 5 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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed
EP-3448838-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2021-08-11 EP disclosed
EP-3448386-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED LLC (US) 2021-03-03 EP disclosed
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 WO disclosed