SCHEMBL13362628

SCHEMBL13362628

Nc1nccc(-c2ccc3nc(C4COc5ccccc5C4)nc(O)c3c2)n1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.64
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL3356118 0.86 ROCK2 (0.67) ROCK2
SCHEMBL3388822 0.83 CAMKK2 (0.49) ROCK2SLC2A1
SCHEMBL13362810 0.82 ROCK2 (0.60) ROCK2
SCHEMBL3384750 0.79 ROCK2 (0.63) ROCK2
SCHEMBL3228103 0.78 ROCK2 (1.00) ROCK2
SCHEMBL13457044 0.77 ROCK2 (1.00) ROCK2
SCHEMBL1519243 0.76 ROCK2 (0.86) ROCK2
SCHEMBL3389345 0.75 ROCK2 (0.45) ROCK2
SCHEMBL13362791 0.74 ROCK2 (0.67) ROCK2SLC2A1
SCHEMBL3359299 0.73 ROCK2 (0.55) 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-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
Send feedback