SCHEMBL8306788

SCHEMBL8306788

COc1cc(-c2nc(NCCC(C)(C)N)c3c(C)c(C#N)sc3n2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
PRKCI P41743 2/20 0.38
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 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
SCHEMBL2838007 0.89 PTGS2 (0.42) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2838102 0.88 PTGS2 (0.41) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2839485 0.88 PTGS2 (0.41) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2839668 0.87 PTGS2 (0.43) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2838725 0.87 PTGS2 (0.41) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2833583 0.86 PRKCI (0.40) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2836374 0.86 KDM4E (0.41) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL2838042 0.84 PTGS2 (0.43) PTGS2GAALMNASMN1; SMN2MAPK1
SCHEMBL2843019 0.84 KDM4E (0.40) PTGS2PRKCIGAALMNASMN1; SMN2
SCHEMBL14493329 0.84 KDM4E (0.40) PTGS2PRKCIGAALMNASMN1; SMN2

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