SCHEMBL3620602

SCHEMBL3620602

COc1cccc(-c2nc3c(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)ncnc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.60
SLC2A1 P11166 1/20 0.52
MAPT P10636 6/20 0.52
MAPK1 P28482 5/20 0.49
LMNA P02545 5/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 5/20 0.48
NPSR1 Q6W5P4 4/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
ENPP2 Q13822 2/20 0.47
GAA P10253 2/20 0.46
PKM P14618 1/20 0.45
MEN1 O00255 4/20 0.45
GPR183 P32249 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
NOD2 Q9HC29 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL654183 0.90 PI4KB (0.76) PI4KBSLC2A1MAPTMAPK1LMNA
SCHEMBL653394 0.84 PI4KB (0.59) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL655163 0.82 PI4KB (0.50) PI4KBMAPTMAPK1LMNAKMT2A
SCHEMBL1720202 0.80 PI4KB (0.55) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL654457 0.80 PI4KB (0.77) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL654739 0.79 PI4KB (0.83) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL656541 0.77 PI4KB (0.81) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL1721298 0.77 PI4KB (0.91) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL653400 0.77 PI4KB (0.74) PI4KBMAPTMAPK1LMNAPOLB
SCHEMBL4106516 0.76 PI4KB (0.58) PI4KBSLC2A1MAPTMAPK1LMNA

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-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO claimed