SCHEMBL1721154

SCHEMBL1721154

COc1ccc(OCC(=O)N2CCN(c3nc(N)nc4sc(Cc5ccc(F)cc5)nc34)CC2)cc1.Nc1nc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c2nc(Cc3ccc(F)cc3)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 8/20 0.51
KCNH2 Q12809 3/20 0.47
CHIA Q9BZP6 1/20 0.45
CYP3A4 P08684 1/20 0.43
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HPGD P15428 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
SCHEMBL653637 0.96 PI4KB (0.53) PI4KBKCNH2CHIAPPARGNR2E3
SCHEMBL654434 0.96 PI4KB (0.54) PI4KBKCNH2CYP3A4MAPTL3MBTL1
SCHEMBL653219 0.89 PI4KB (0.53) PI4KBKCNH2CHIAPPARGNR2E3
SCHEMBL655043 0.89 PI4KB (0.53) PI4KBKCNH2CYP3A4MAPTL3MBTL1
SCHEMBL655565 0.89 PI4KB (0.53) PI4KBKCNH2CHIACYP3A4PPARG
SCHEMBL654589 0.88 PI4KB (0.65) PI4KBKCNH2MAPTKMT2AALDH1A1
SCHEMBL654877 0.88 PI4KB (0.52) PI4KBKCNH2CYP3A4MAPTL3MBTL1
SCHEMBL655116 0.88 PI4KB (0.52) PI4KBKCNH2CYP3A4MAPTL3MBTL1
SCHEMBL654372 0.86 PI4KB (0.64) PI4KBKCNH2CHIACYP3A4PPARG
SCHEMBL1721353 0.86 PI4KB (0.51) PI4KBKCNH2CHIACYP3A4PPARG

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-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP claimed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed