SCHEMBL7019440

SCHEMBL7019440

COc1ccc(CNc2nc(CN3CCN(CC(O)CO)CC3)nc3sc4c(c23)CCCC4)cc1Cl.COc1ccc(CNc2nc(CNCCN3CCOCC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE5A O76074 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 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
SCHEMBL5413011 0.91 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5417552 0.90 KDM4E (0.49) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5419673 0.84 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5409577 0.82 MAPT (0.44) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5410532 0.81 MAPT (0.46) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5402116 0.79 MAPT (0.47) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5408430 0.79 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5412985 0.79 PDE5A (0.49) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL5412840 0.78 MAPT (0.46) HSD17B10ALDH1A1KDM4EMAPTHTT
SCHEMBL7016071 0.78 SMN1; SMN2 (0.42) HSD17B10ALDH1A1KDM4EMAPTHTT

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-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP disclosed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 WO disclosed