SCHEMBL16189986

SCHEMBL16189986

CC(O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.51
F2 P00734 4/20 0.51
SLC29A1 Q99808 1/20 0.51
NTRK1 P04629 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL16190022 0.93 F10 (0.49) F10F2SLC29A1NTRK1PDE4A
SCHEMBL16189976 0.90 F10 (0.47) F10F2SLC29A1NTRK1PDE4A
SCHEMBL16190043 0.88 F10 (0.58) F10F2SLC29A1
SCHEMBL28844061 0.86 F10 (0.56) F10F2SLC29A1
SCHEMBL15628281 0.86 F10 (0.66) F10F2SLC29A1
SCHEMBL16189956 0.86 F10 (0.54) F10F2SLC29A1
SCHEMBL16189966 0.86 F10 (0.51) F10F2SLC29A1PDE4APDE4B
SCHEMBL16189967 0.85 F10 (0.48) F10F2SLC29A1PDE4APDE4B
SCHEMBL16189987 0.84 F10 (0.47) F10F2SLC29A1CYP11B2
SCHEMBL16189988 0.84 F10 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026392-B 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 2017-05-10 CN disclosed
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
CN-104109165-A 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives, and preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-10-22 CN disclosed