SCHEMBL24617698

SCHEMBL24617698

COc1cccc(Cn2cnc3cc(-c4ccnc(N)c4)ccc3c2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.72
ROCK1 Q13464 11/20 0.72
GRK2 P25098 2/20 0.59
AURKA O14965 1/20 0.59
PRKCB P05771 1/20 0.59
AKT1 P31749 1/20 0.59
GRK5 P34947 1/20 0.59
GRK6 P43250 1/20 0.59
CAMK2B Q13554 1/20 0.59
RPS6KA1 Q15418 1/20 0.59
GRK7 Q8WTQ7 1/20 0.59
GRK1 Q15835 1/20 0.51
QPCT Q16769 1/20 0.51
QPCTL Q9NXS2 1/20 0.51

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
SCHEMBL30656425 1.00 ROCK2 (0.72) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL24617688 0.89 ROCK2 (0.69) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL30656550 0.84 ROCK2 (0.66) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL24617265 0.84 ROCK2 (0.66) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL24617407 0.82 GRK2 (0.85) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL30656470 0.82 ROCK2 (0.62) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL30656542 0.81 ROCK2 (0.49) ROCK2ROCK1GRK2GRK1
SCHEMBL24617530 0.81 ROCK2 (0.49) ROCK2ROCK1GRK2GRK1
SCHEMBL24617406 0.80 ROCK2 (0.62) ROCK2ROCK1GRK2AURKAPRKCB
SCHEMBL29778896 0.80 ROCK2 (0.62) ROCK2ROCK1GRK2AURKAPRKCB

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-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed