SCHEMBL8315162

SCHEMBL8315162

Cc1c(C#N)sc2nc(CCCc3ccccc3)nc(N3CCC(C)(N)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PREP P48147 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
PTPN11 Q06124 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8313939 0.90 ALDH1A1 (0.54) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2838730 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8312543 0.81 KDM4E (0.77) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2838759 0.80 ALDH1A1 (0.56) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8311896 0.78 ALDH1A1 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2843068 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2837934 0.75 LMNA (0.59) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2837361 0.74 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8312062 0.74 KDM4E (0.61) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8311877 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDTSHRHSD17B10

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