SCHEMBL6971569

SCHEMBL6971569

CNc1cc[c]cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
TSHR P16473 1/20 0.31

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
SCHEMBL2103632 0.79 LRRK2 (0.36)
SCHEMBL1451106 0.75 KDM4E (0.31)
SCHEMBL2103875 0.73 AR (0.34)
SCHEMBL232460 0.73
SCHEMBL408050 0.72 TSHR (0.33) TSHR
SCHEMBL2038335 0.71
SCHEMBL1343863 0.71 KDM4E (0.52) ROCK2ROCK1CDC42BPACDC42BPBTSHR
SCHEMBL29565140 0.71 KDM4E (0.52) ROCK2ROCK1CDC42BPACDC42BPBTSHR
SCHEMBL1818357 0.70
SCHEMBL1099658 0.70

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed