SCHEMBL1647650

SCHEMBL1647650

O=C(NCc1cccc(F)c1)c1nn(CC2CC2)c2cc(-c3cn[nH]c3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 3/20 0.58
PRKACG P22612 3/20 0.58
PRKACB P22694 3/20 0.58
ROCK2 O75116 14/20 0.54
ROCK1 Q13464 9/20 0.51
PTGER4 P35408 1/20 0.47
CDC7 O00311 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
PIM2 Q9P1W9 1/20 0.47

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
SCHEMBL12779445 0.91 PRKACA (0.60) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779486 0.89 PRKACA (0.75) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1648761 0.86 ROCK2 (0.49) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779384 0.85 PRKACA (0.61) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779489 0.77 PRKACA (0.55) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1648238 0.77 ROCK2 (0.51) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1648061 0.76 PRKACA (0.81) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL12779446 0.76 PRKACA (0.62) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL23360848 0.74 ROCK2 (0.58) PRKACAPRKACGPRKACBROCK2ROCK1
SCHEMBL1647834 0.74 PRKACA (0.77) 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