SCHEMBL1721168

SCHEMBL1721168

COc1ccc(OCC(=O)N2CCN(c3nc(N)nc4sc(CCc5ccc(Br)cc5)nc34)CC2)cc1.Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(CCc3ccc(Br)cc3)sc2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 7/20 0.59
KCNH2 Q12809 3/20 0.46
CHIA Q9BZP6 1/20 0.44
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
CYP3A4 P08684 1/20 0.42
POLB P06746 2/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL654605 0.96 PI4KB (0.64) PI4KBKCNH2CHIAMAPTMAPK1
SCHEMBL655565 0.96 PI4KB (0.53) PI4KBKCNH2CHIAMAPTMAPK1
SCHEMBL1721353 0.93 PI4KB (0.51) PI4KBKCNH2CHIAMAPTMAPK1
SCHEMBL655951 0.90 PI4KB (0.53) PI4KBKCNH2CHIAMAPTMAPK1
SCHEMBL654772 0.90 PI4KB (0.64) PI4KBKCNH2MAPTMAPK1LMNA
SCHEMBL653705 0.89 PI4KB (0.54) PI4KBKCNH2MAPTMAPK1LMNA
SCHEMBL1720827 0.89 PI4KB (0.51) PI4KBKCNH2CHIAMAPTMAPK1
SCHEMBL655043 0.88 PI4KB (0.53) PI4KBKCNH2MAPTMAPK1LMNA
SCHEMBL653219 0.88 PI4KB (0.53) PI4KBKCNH2CHIAMAPTMAPK1
SCHEMBL656564 0.88 PI4KB (0.64) PI4KBKCNH2MAPTMAPK1LMNA

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