SCHEMBL17102776

SCHEMBL17102776

Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1.Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(Cc3ccc(F)cc3)sc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 7/20 0.63
KCNH2 Q12809 3/20 0.45
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
NOD2 Q9HC29 1/20 0.44
CYP3A4 P08684 2/20 0.41
CNR1 P21554 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPK1 P28482 4/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 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
SCHEMBL654589 0.91 PI4KB (0.65) PI4KBKCNH2ALDH1A1LMNAMAPT
SCHEMBL653167 0.90 PI4KB (0.75) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL655186 0.90 PI4KB (0.61) PI4KBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL656634 0.88 PI4KB (0.70) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL654434 0.87 PI4KB (0.54) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL655537 0.86 PI4KB (0.68) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL656541 0.86 PI4KB (0.81) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL654471 0.85 PI4KB (0.75) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL656564 0.85 PI4KB (0.64) PI4KBKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL654617 0.85 PI4KB (0.66) PI4KBALDH1A1SMN1; SMN2LMNAMAPT

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-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed