SCHEMBL21895421

SCHEMBL21895421

CN/C=N\c1nc(N)ccc1C=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NCK1 P16333 1/20 0.32
BACE1 P56817 1/20 0.32
PLAU P00749 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
SCHEMBL21393342 0.74 PLAU (0.34) NCK1BACE1PLAU
SCHEMBL13723997 0.69 NOS2 (0.54) NCK1BACE1PLAU
SCHEMBL29749869 0.69 NOS2 (0.54) NCK1BACE1PLAU
SCHEMBL7261717 0.67 PLAU (0.40) NCK1BACE1PLAU
SCHEMBL12189339 0.64 ALDH1A1 (0.44) NCK1BACE1PLAU
SCHEMBL8181408 0.64 TRIM24 (0.45) NCK1BACE1PLAU
SCHEMBL30023734 0.63 NCF1 (0.44) NCK1BACE1PLAU
SCHEMBL19193457 0.63 LMNA (0.34)
SCHEMBL27886744 0.60 BACE1 (0.44) NCK1BACE1PLAU
SCHEMBL8628087 0.58 PLAU (0.59) NCK1BACE1PLAU

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
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 WO disclosed