SCHEMBL30690944

SCHEMBL30690944

CC#CC(=O)N1CCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00

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
SCHEMBL29120094 1.00 BTK (1.00) BTK
SCHEMBL29120069 0.91 BTK (0.84) BTK
SCHEMBL29120057 0.88 BTK (0.84) BTK
SCHEMBL30690919 0.87 BTK (1.00) BTK
SCHEMBL29120067 0.87 BTK (1.00) BTK
SCHEMBL29120068 0.86 BTK (0.85) BTK
SCHEMBL19898683 0.85 BTK (0.75) BTK
SCHEMBL30690936 0.82 BTK (0.72) BTK
SCHEMBL19898109 0.81 BTK (0.82) BTK
SCHEMBL19898497 0.81 BTK (0.93) BTK

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
CN-117164592-A Pyrrolo-aminopyrimidine compounds, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-12-05 — — CN disclosed
Send feedback