SCHEMBL7007879

SCHEMBL7007879

CCCc1nc2c(C(=O)OCC)c[nH]n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
DPP4 P27487 2/20 0.46
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CSNK1D P48730 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL7008793 0.74 KDM4E (0.50) KDM4EDPP4CDC7ROCK2PIM1
SCHEMBL7007883 0.68 KDM4E (0.46) KDM4EHSP90AA1ALDH1A1KMT2AMEN1
SCHEMBL17193766 0.65 PDE4D (0.45) KDM4EHSP90AA1ALDH1A1MAPTKMT2A
SCHEMBL2820788 0.65 HSP90AA1 (0.52) KDM4EHSP90AA1ALDH1A1MAPTKMT2A
SCHEMBL25800531 0.65 KDM4E (0.62) KDM4EDPP4CDC7ROCK2PIM1
SCHEMBL4527898 0.64 KMT2A (0.49) KDM4EHSP90AA1ALDH1A1MAPTKMT2A
SCHEMBL9295372 0.64 HSP90AA1 (0.51) KDM4EHSP90AA1ALDH1A1KMT2AMEN1
SCHEMBL7715669 0.64 DPP4 (0.63) KDM4EDPP4CDC7ROCK2PIM1
SCHEMBL9589692 0.64 HSP90AA1 (0.55) KDM4EHSP90AA1ALDH1A1MAPTKMT2A
SCHEMBL4045529 0.64 TSHR (0.61) KDM4EALDH1A1MAPTKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed