SCHEMBL14201581

SCHEMBL14201581

Bn1ncc2cc(Nc3nc(-c4cccc(NC(=O)c5cccnc5)c4)nc4ccc(OC(C)=O)cc34)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.60
ROCK2 O75116 4/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
PRKD3 O94806 2/20 0.44
MET P08581 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
UBE2N P61088 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42

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
SCHEMBL1729989 0.92 ABCG2 (0.60) ABCG2ROCK2MAPTKDM4EPRKD3
SCHEMBL3794472 0.88 ABCG2 (0.56) ABCG2ROCK2MAPTKDM4EPRKD3
SCHEMBL14202082 0.85 ROCK2 (0.52) ABCG2ROCK2MAPTKDM4EPRKD3
SCHEMBL11920150 0.84 ABCG2 (0.58) ABCG2ROCK2MAPTKDM4EL3MBTL1
SCHEMBL1721882 0.84 ROCK2 (0.67) ABCG2ROCK2PRKD3METPLK4
SCHEMBL1729223 0.81 ABCG2 (0.58) ABCG2ROCK2MAPTKDM4EL3MBTL1
SCHEMBL1729984 0.80 ROCK2 (0.46) ABCG2ROCK2MAPTKDM4EPRKD3
SCHEMBL1727990 0.80 ABCG2 (0.58) ABCG2ROCK2MAPTKDM4EPRKD3
SCHEMBL13319599 0.79 ABCG2 (0.55) ABCG2ROCK2MAPTKDM4EL3MBTL1
SCHEMBL3792568 0.78 ABCG2 (0.57) ABCG2ROCK2MAPTKDM4EPRKD3

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-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed