SCHEMBL3346689

SCHEMBL3346689

COc1cccc([C@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ROCK2 O75116 13/20 0.48
PRKG1 Q13976 4/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK1 Q13464 7/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KIT P10721 2/20 0.44
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

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
SCHEMBL3350804 0.90 MAPK1 (0.41) ROCK2ROCK1KIT
SCHEMBL13365057 0.88 KCNH2 (0.38) POLBROCK2KITSMN1; SMN2
SCHEMBL3380842 0.87 KCNH2 (0.40) ROCK2ROCK1KITSMN1; SMN2
SCHEMBL3350854 0.87 KCNH2 (0.49) POLBROCK2PRKG1MEN1KMT2A
SCHEMBL3349710 0.86 KCNQ3 (0.46) LMNASMN1; SMN2
SCHEMBL3346274 0.86 POLB (0.54) POLBROCK2PRKG1MEN1KMT2A
SCHEMBL3347954 0.84 POLB (0.54) POLBROCK2PRKG1MEN1KMT2A
SCHEMBL3352431 0.84 ROCK2 (0.52) POLBROCK2PRKG1MEN1KMT2A
SCHEMBL3350848 0.82 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL3350882 0.81 KCNH2 (0.46) MEN1KMT2AKITSMN1; 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