SCHEMBL13522650

SCHEMBL13522650

COc1nc2c(N)nc(C(=O)O)nc2n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 5/20 0.47
HPGD P15428 5/20 0.47
CASP1 P29466 5/20 0.47
CASP7 P55210 5/20 0.47
HSD17B10 Q99714 5/20 0.47
GLA P06280 4/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TLR7 Q9NYK1 12/20 0.46
PDE8B O95263 1/20 0.43
USP2 O75604 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13522639 0.91 KDM4E (0.51) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL14944605 0.87 TLR7 (0.44) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL13522641 0.83 TLR7 (0.49) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL7206462 0.83 TLR7 (0.48) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL7204717 0.83 TLR7 (0.57) TLR7
SCHEMBL14944574 0.83 TLR7 (0.46) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL3137649 0.79 TLR7 (0.45) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL7209281 0.79 TLR7 (0.60) TLR7
SCHEMBL7204280 0.78 TLR7 (0.61) TLR7
SCHEMBL7205129 0.77 TLR7 (0.65) TLR7

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
US-7642350-B2 Purine derivatives PFIZER LIMITED (GB) 2010-01-05 US disclosed
US-7642350-B2 Purine derivatives PFIZER LIMITED (GB) 2010-01-05 US disclosed