SCHEMBL13457189

SCHEMBL13457189

COc1ccc2c(c1)CC(c1nc3ccc(-c4cccnc4)cc3o1)CO2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.67
▸ CYP11B2 P19099 3/20 0.47
▸ CYP17A1 P05093 2/20 0.47
▸ CYP11B1 P15538 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ TNIK Q9UKE5 1/20 0.40

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
SCHEMBL13457248 0.90 ROCK2 (0.68) ROCK2
SCHEMBL3262426 0.89 ROCK2 (0.71) ROCK2
SCHEMBL13457402 0.85 ROCK2 (0.72) ROCK2TNIK
SCHEMBL3264748 0.84 ROCK2 (0.76) ROCK2
SCHEMBL13456989 0.84 ROCK2 (0.75) ROCK2
SCHEMBL3232068 0.84 ROCK2 (0.68) ROCK2
SCHEMBL13457394 0.84 ROCK2 (0.78) ROCK2
SCHEMBL3232097 0.80 ROCK2 (1.00) ROCK2
SCHEMBL13457181 0.79 ROCK2 (0.64) ROCK2
SCHEMBL13457009 0.77 ROCK2 (0.66) ROCK2

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-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 — — WO disclosed
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