SCHEMBL8311896

SCHEMBL8311896

COc1ccc(Cc2nc(N3CCC(C)(N)CC3)c3c(C)c(C#N)sc3n2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
PTPN11 Q06124 1/20 0.35
NTSR1 P30989 1/20 0.34
PDE5A O76074 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL2834814 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2838027 0.86 KDM4E (0.48) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL8313939 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL8306834 0.85 KDM4E (0.55) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL8315162 0.78 KDM4E (0.51) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL8313961 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2840153 0.77 KMT2A (0.41) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2834729 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2838833 0.77 CA2 (0.39) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2834805 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTSHRHSD17B10

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