SCHEMBL3352431

SCHEMBL3352431

COc1cccc([C@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.52
PRKG1 Q13976 7/20 0.52
POLB P06746 1/20 0.50
ROCK1 Q13464 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PRKACA P17612 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PRKX P51817 1/20 0.43
PRKCQ Q04759 1/20 0.43
MST1R Q04912 1/20 0.43
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3348168 0.89 KCNH2 (0.45) ROCK2PRKG1CHRNA7KCNH2
SCHEMBL13365125 0.88 KCNH2 (0.44) ROCK2PRKG1CHRNA7KCNH2
SCHEMBL3346274 0.88 POLB (0.54) ROCK2PRKG1POLBSMN1; SMN2KCNH2
SCHEMBL3353108 0.87 KCNH2 (0.46) ROCK2PRKG1CHRNA7KCNH2
SCHEMBL3346506 0.87 KCNH2 (0.51) ROCK2PRKG1POLBROCK1SMN1; SMN2
SCHEMBL13364987 0.87 ROCK2 (0.48) ROCK2PRKG1POLBROCK1PRKACA
SCHEMBL13365073 0.86 KCNH2 (0.50) ROCK2CHRNA7KCNH2
SCHEMBL3353232 0.86 POLB (0.53) ROCK2PRKG1POLBROCK1SMN1; SMN2
SCHEMBL3347954 0.86 POLB (0.54) ROCK2PRKG1POLBROCK1SMN1; SMN2
SCHEMBL3346689 0.84 POLB (0.50) ROCK2PRKG1POLBROCK1SMN1; SMN2

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO claimed
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed