SCHEMBL23048670

SCHEMBL23048670

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
USP30 Q70CQ3 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 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 0.82 HCAR3 (0.33) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23740771 0.79 DYRK1A (0.36) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23048847 0.76 HCAR3 (0.33) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23048889 0.72 ACACB (0.31) DYRK1AWNT1GSK3BACACBACACA
SCHEMBL23048918 0.72 HCAR3 (0.33) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23916312 0.70 ACACB (0.35) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23740730 0.70 NNMT (0.36) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23048883 0.70 NNMT (0.36) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23048630 0.70 HCAR3 (0.34) DYRK1AWNT1GSK3BUSP30ACACB
SCHEMBL23741148 0.70 HCAR3 (0.36) DYRK1AWNT1GSK3BUSP30ACACB

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