SCHEMBL794391

SCHEMBL794391

Nc1nc(N2CCN(C(=O)COc3ccc(C(=O)O)cc3)CC2)c2nc(CCc3ccc(F)cc3)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 5/20 0.52
ENPP2 Q13822 5/20 0.47
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.42
KCNH2 Q12809 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.39
FKBP1A P62942 1/20 0.39
HPGD P15428 1/20 0.39
NOD2 Q9HC29 1/20 0.39
POLB P06746 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
SCHEMBL655575 0.95 PI4KB (0.56) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL654086 0.93 PI4KB (0.51) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL655387 0.93 PI4KB (0.53) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL656446 0.92 PI4KB (0.53) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL653116 0.92 PI4KB (0.50) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL655043 0.91 PI4KB (0.53) PI4KBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL653219 0.91 PI4KB (0.53) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL656564 0.91 PI4KB (0.64) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL656254 0.90 PI4KB (0.51) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1
SCHEMBL1719921 0.90 PI4KB (0.62) PI4KBENPP2ALDH1A1SMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed