SCHEMBL3383164

SCHEMBL3383164

NC(Cc1ccccc1)c1nc(O)c2cc(-c3cn[nH]c3)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.63
ROCK1 Q13464 4/20 0.52
GRK2 P25098 1/20 0.45
GRK5 P34947 1/20 0.45
GRK1 Q15835 1/20 0.45

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
SCHEMBL3383157 1.00 ROCK2 (0.63) ROCK2ROCK1GRK2GRK5GRK1
SCHEMBL3386094 0.91 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3386096 0.91 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL13362769 0.91 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3385741 0.91 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3385746 0.91 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3387761 0.90 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3387757 0.90 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3386625 0.90 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL3389658 0.90 ROCK2 (0.75) ROCK2ROCK1

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