SCHEMBL6120156

SCHEMBL6120156

O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1Cc2ccc(CN3CC[C@@H](F)C3)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 1.00
NAMPT P43490 13/20 1.00
ROCK1 Q13464 4/20 0.62

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
SCHEMBL3699743 1.00 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3702905 1.00 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3704814 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3706888 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL6121481 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3698246 0.88 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3709086 0.81 NAMPT (1.00) ROCK2NAMPTROCK1
SCHEMBL3700294 0.80 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3707024 0.80 ROCK2 (1.00) ROCK2NAMPTROCK1
SCHEMBL3711348 0.79 NAMPT (1.00) ROCK2NAMPTROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed