SCHEMBL793876

SCHEMBL793876

Nc1nc(N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)c2nc(CCc3ccc(F)cc3)sc2n1.Nc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 4/20 0.50
ENPP2 Q13822 11/20 0.46
KCNH2 Q12809 2/20 0.44
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL655317 0.94 ENPP2 (0.51) PI4KBENPP2MAPTMAPK1HTT
SCHEMBL652425 0.92 PI4KB (0.55) PI4KBENPP2KCNH2MAPTMAPK1
SCHEMBL655387 0.87 PI4KB (0.53) PI4KBENPP2KCNH2MAPTMAPK1
SCHEMBL652412 0.85 PI4KB (0.65) PI4KBENPP2KCNH2MAPTMAPK1
SCHEMBL655575 0.83 PI4KB (0.56) PI4KBENPP2KCNH2MAPTMAPK1
SCHEMBL655035 0.83 CNR1 (0.51) PI4KBKCNH2MAPTMAPK1KMT2A
SCHEMBL653995 0.83 PI4KB (0.52) PI4KBENPP2KCNH2MAPTHTT
SCHEMBL655043 0.81 PI4KB (0.53) PI4KBKCNH2MAPTMAPK1HTT
SCHEMBL655537 0.81 PI4KB (0.68) PI4KBENPP2KCNH2MAPTMAPK1
SCHEMBL794391 0.81 PI4KB (0.52) PI4KBENPP2KCNH2MAPTMAPK1

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
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed