SCHEMBL798299

SCHEMBL798299

C=CCSn1cnc2c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(N)nc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.59
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
ENPP2 Q13822 6/20 0.43
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
GPR183 P32249 1/20 0.41
KMT2A Q03164 1/20 0.41
CHIA Q9BZP6 1/20 0.41
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL657140 0.79 PI4KB (0.58) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL653834 0.76 PI4KB (0.62) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL655196 0.75 PI4KB (0.68) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL3929738 0.75 PI4KB (0.68) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL17964820 0.74 PI4KB (1.00) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL654869 0.73 PI4KB (0.65) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL4113988 0.73 PI4KB (0.68) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL653896 0.72 PI4KB (0.62) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL655555 0.72 PI4KB (0.70) PI4KBPOLBMAPTHPGDRAB9A
SCHEMBL654775 0.72 PI4KB (0.59) PI4KBPOLBMAPTHPGDRAB9A

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
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed