SCHEMBL1720077

SCHEMBL1720077

COc1ccc(OCC(=O)N2CCN(c3nc(N)nc4sc(CCCc5ccc(F)cc5)nc34)CC2)cc1.Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(CCCCc3ccc(F)cc3)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 7/20 0.57
KCNH2 Q12809 3/20 0.45
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.42
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL654877 0.96 PI4KB (0.52) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL655116 0.96 PI4KB (0.52) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL654259 0.96 PI4KB (0.62) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL655488 0.96 PI4KB (0.62) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL655043 0.91 PI4KB (0.53) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL656564 0.91 PI4KB (0.64) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL1719921 0.90 PI4KB (0.62) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL654617 0.90 PI4KB (0.66) PI4KBMAPK1LMNAMAPTPOLB
SCHEMBL651826 0.88 PI4KB (0.60) PI4KBKCNH2MAPK1LMNAMAPT
SCHEMBL1721168 0.88 PI4KB (0.59) PI4KBKCNH2MAPK1LMNAMAPT

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