SCHEMBL8306834

SCHEMBL8306834

COc1ccc(-c2nc(N3CCC(C)(N)CC3)c3c(C)c(C#N)sc3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.55
HPGD P15428 8/20 0.55
ALDH1A1 P00352 7/20 0.55
HSD17B10 Q99714 5/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.39
PTPN11 Q06124 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
BRAF P15056 1/20 0.37
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8313961 0.91 ALDH1A1 (0.52) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8306844 0.89 ALDH1A1 (0.59) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL2834831 0.87 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8311286 0.86 ALDH1A1 (0.64) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL2834790 0.86 HPGD (0.58) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8311896 0.85 ALDH1A1 (0.41) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8312062 0.85 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8312543 0.84 KDM4E (0.77) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8313156 0.84 ALDH1A1 (0.53) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8311877 0.82 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10TSHR

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
WO-2004065391-A1 4-AMINOTHIENO[2,3-d]PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-05 WO disclosed