SCHEMBL7367010

SCHEMBL7367010

COc1ccc(CNC(=O)c2cc(C#N)ccc2NC2CCC(N)CC2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
KDM1A O60341 1/20 0.37
TSHR P16473 1/20 0.37
MAPK10 P53779 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
SCHEMBL7404179 0.92 PDE5A (0.48) PDE5AROCK2ROCK1
SCHEMBL7397182 0.82 PDE5A (0.60) PDE5A
SCHEMBL7397184 0.82 PDE5A (0.60) PDE5A
Hydrochloric Acid SCHEMBL7389333 0.82 KDM4E (0.46) ROCK2ROCK1TSHRMAPK10
SCHEMBL7404535 0.81 PDE5A (0.51) PDE5A
SCHEMBL7404538 0.81 PDE5A (0.51) PDE5A
SCHEMBL7365450 0.80 KDM4E (0.45) ROCK2ROCK1TSHRMAPK10
SCHEMBL7365453 0.80 KDM4E (0.45) ROCK2ROCK1TSHRMAPK10
SCHEMBL7387641 0.80 KDM4E (0.45) ROCK2ROCK1TSHRMAPK10
SCHEMBL7565906 0.79 ACHE (0.43) PDE5ATSHRMAPK10

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-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed