SCHEMBL29876531

SCHEMBL29876531

O=C(c1ccccc1)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.85
▸ LCK P06239 1/20 0.70
▸ YES1 P07947 1/20 0.70
▸ PTK6 Q13882 1/20 0.70

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
SCHEMBL19910750 1.00 BTK (0.85) BTKLCKYES1PTK6
SCHEMBL19898953 0.92 BTK (0.95) BTK
SCHEMBL19898665 0.92 BTK (0.95) BTK
SCHEMBL19914121 0.92 BTK (0.95) BTK
SCHEMBL19898890 0.92 BTK (0.95) BTK
SCHEMBL19898526 0.92 BTK (0.95) BTK
SCHEMBL19898334 0.92 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL19914026 0.92 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL19898337 0.92 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL19898669 0.92 BTK (1.00) BTKLCKYES1PTK6

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
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 — — WO disclosed
Send feedback