SCHEMBL16190031

SCHEMBL16190031

CCc1cc(-n2nc(C(C)O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.50
F2 P00734 4/20 0.50
SLC29A1 Q99808 1/20 0.50
PDE4A P27815 8/20 0.44
PDE4B Q07343 8/20 0.44
PDE4C Q08493 8/20 0.44
PDE4D Q08499 8/20 0.44

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
SCHEMBL16189986 0.80 F10 (0.51) F10F2SLC29A1PDE4APDE4B
SCHEMBL16730530 0.79 F10 (0.59) F10F2SLC29A1PDE4APDE4B
SCHEMBL5477668 0.78 F10 (0.66) F10F2SLC29A1
SCHEMBL6218254 0.76 F10 (0.69) F10F2SLC29A1PDE4APDE4B
SCHEMBL5482613 0.76 F10 (0.57) F10F2SLC29A1
SCHEMBL19975899 0.75 F10 (0.67) F10F2SLC29A1PDE4APDE4B
SCHEMBL16189955 0.74 F10 (0.52) F10F2SLC29A1
SCHEMBL19546836 0.74 F10 (0.64) F10F2SLC29A1PDE4APDE4B
SCHEMBL19311594 0.73 F10 (0.77) F10F2SLC29A1
SCHEMBL16190022 0.73 F10 (0.49) F10F2SLC29A1PDE4APDE4B

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-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed