SCHEMBL30004560

SCHEMBL30004560

Cn1cc(-c2ccc3cnc(NC(=O)[C@H]4CC[C@H](N5CCOCC5)CC4)cc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 1.00
DYRK1A Q13627 19/20 1.00
WNT1 P04628 13/20 1.00
ABL1 P00519 1/20 0.71

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
SCHEMBL23740712 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30005658 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515211 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515756 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515212 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30005628 0.93 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515684 0.93 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30004631 0.93 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515623 0.93 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515621 0.93 GSK3B (1.00) GSK3BDYRK1AWNT1

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
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN claimed
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN disclosed