SCHEMBL1647780

SCHEMBL1647780

COc1cccc(CNC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 7/20 1.00
PRKACG P22612 7/20 1.00
PRKACB P22694 7/20 1.00
ROCK2 O75116 14/20 0.88
SMN1; SMN2 Q16637 1/20 0.70
ROCK1 Q13464 9/20 0.67

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
SCHEMBL12779305 0.94 ROCK2 (1.00) PRKACAPRKACGPRKACBROCK2SMN1; SMN2
SCHEMBL1647886 0.91 PRKACA (0.83) PRKACAPRKACGPRKACBROCK2SMN1; SMN2
SCHEMBL12779421 0.87 PRKACA (0.77) PRKACAPRKACGPRKACBROCK2SMN1; SMN2
SCHEMBL1649565 0.84 PRKACA (1.00) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779513 0.84 PRKACA (0.72) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647566 0.83 PRKACA (0.80) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647278 0.83 PRKACA (1.00) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647894 0.82 ROCK2 (0.72) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779302 0.81 ROCK2 (0.78) PRKACAPRKACGPRKACBROCK2SMN1; SMN2
SCHEMBL3812995 0.81 ROCK2 (0.76) 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 2 patents. 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
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed