SCHEMBL28369185

SCHEMBL28369185

COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2)CC3)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.79
F2 P00734 5/20 0.79
SLC29A1 Q99808 1/20 0.79
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58

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
SCHEMBL5445803 0.97 F10 (0.84) F10F2SLC29A1
SCHEMBL28365263 0.96 F10 (0.82) F10F2SLC29A1
SCHEMBL17507083 0.96 F10 (0.82) F10F2SLC29A1
SCHEMBL18028133 0.93 F10 (0.80) F10F2SLC29A1PDE4APDE4B
SCHEMBL16730331 0.91 F10 (0.94) F10F2SLC29A1
SCHEMBL18365276 0.90 F10 (0.85) F10F2SLC29A1PDE4APDE4B
SCHEMBL28365179 0.89 F10 (0.65) F10F2SLC29A1PDE4APDE4B
SCHEMBL15175082 0.89 F10 (0.69) F10F2SLC29A1PDE4APDE4B
SCHEMBL23777828 0.88 F10 (0.82) F10F2SLC29A1
Apixaban SCHEMBL118023 0.88 F10 (1.00) F10F2SLC29A1

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-105384739-B Pyrazolo [3,4-c ] pyridine derivatives 石药集团中奇制药技术(石家庄)有限公司 2020-03-20 CN disclosed