SCHEMBL1876983

SCHEMBL1876983

C#CCN(c1cccc(-c2ccnc3c(C(=O)c4ccc(OC)cc4)cnn23)c1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
PIM1 P11309 4/20 0.44
MAPK13 O15264 2/20 0.44
GSK3A P49840 2/20 0.43
DAPK3 O43293 1/20 0.43
AKT1 P31749 1/20 0.43
MAPK9 P45984 1/20 0.43
NEK2 P51955 1/20 0.43
PIM3 Q86V86 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
MAPK1 P28482 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
AOX1 Q06278 1/20 0.42
PDE3A Q14432 1/20 0.42
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL1873543 0.93 KDM4E (0.47) KDM4EALDH1A1PIM1MAPK13GSK3A
SCHEMBL1877954 0.91 TLR8 (0.48) KDM4EPIM1MAPK13GSK3AAKT1
SCHEMBL1881497 0.91 TLR8 (0.45) KDM4EPIM1MAPK13GSK3ADAPK3
SCHEMBL1874476 0.91 KDM4E (0.45) KDM4EPIM1MAPK13GSK3AGABRA1
SCHEMBL1877724 0.90 TLR8 (0.44) KDM4EPIM1MAPK13GSK3AAKT1
SCHEMBL1873926 0.90 KDM4E (0.51) KDM4EALDH1A1PIM1MAPK13GSK3A
SCHEMBL10737443 0.87 KDM4E (0.53) KDM4EALDH1A1PIM1MAPK13GSK3A
SCHEMBL1880200 0.86 KDM4E (0.53) KDM4EALDH1A1PIM1MAPK13GSK3A
SCHEMBL1881246 0.85 KDM4E (0.51) KDM4EALDH1A1PIM1MAPK13GSK3A
SCHEMBL1881418 0.85 TLR8 (0.44) KDM4EPIM1MAPK13GSK3ADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US claimed
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US disclosed