SCHEMBL794627

SCHEMBL794627

CCCCCc1nc2c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(N)nc2o1.Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(CCc3ccccc3)oc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.53
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GPR183 P32249 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
POLB P06746 2/20 0.43
ENPP2 Q13822 4/20 0.43
LMNA P02545 5/20 0.42
MAPK1 P28482 2/20 0.42
ADORA2B P29275 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RY12 Q9H244 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL654675 0.94 PI4KB (0.59) PI4KBKMT2AMEN1GPR183ESR1
SCHEMBL654623 0.94 PI4KB (0.59) PI4KBKMT2AMEN1GPR183ESR1
SCHEMBL654810 0.86 PI4KB (0.57) PI4KBKMT2AMEN1GPR183ESR1
SCHEMBL654267 0.82 PI4KB (0.61) PI4KBKMT2AMEN1GPR183POLB
SCHEMBL655515 0.80 PI4KB (0.61) PI4KBKMT2AMEN1GPR183POLB
SCHEMBL4418674 0.79 PI4KB (0.59) PI4KBKMT2AMEN1GPR183POLB
SCHEMBL652287 0.77 PI4KB (0.66) PI4KBKMT2AMEN1GPR183POLB
SCHEMBL654583 0.77 PI4KB (0.66) PI4KBKMT2AMEN1GPR183ESR1
SCHEMBL654098 0.76 PI4KB (0.62) PI4KBKMT2AMEN1GPR183POLB
SCHEMBL654714 0.76 MEN1 (0.53) PI4KBKMT2AMEN1POLBMAPT

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-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed