Sugi Predict

Sugi Predict / Compounds / SCHEMBL1648903

SCHEMBL1648903

SCHEMBL1648903

COc1cccc(CN(CCN(C)C)C(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 2/20 1.00
▸ PRKACG P22612 2/20 1.00
▸ PRKACB P22694 2/20 1.00
▸ ROCK2 O75116 17/20 0.71
▸ ROCK1 Q13464 13/20 0.69
▸ CDC42BPA Q5VT25 2/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63

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
SCHEMBL1647566 0.89 PRKACA (0.80) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779550 0.83 ROCK2 (0.71) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647243 0.82 ROCK2 (1.00) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1648217 0.80 ROCK2 (0.67) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647780 0.79 PRKACA (1.00) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647157 0.78 ROCK2 (1.00) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL13457098 0.78 ROCK2 (1.00) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647886 0.78 PRKACA (0.83) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779518 0.78 PRKACA (0.63) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1648804 0.78 ROCK2 (1.00) PRKACAPRKACGPRKACBROCK2ROCK1

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-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 — — WO disclosed