SCHEMBL1874476

SCHEMBL1874476

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TLR8 Q9NR97 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
MAPK1 P28482 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
AOX1 Q06278 1/20 0.43
PDE3A Q14432 1/20 0.43
CDKN1A P38936 1/20 0.40
BRAF P15056 9/20 0.40
MAP2K1 Q02750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PIM1 P11309 2/20 0.38
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3A P49840 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL1877638 0.93 KDM4E (0.44) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1877954 0.93 TLR8 (0.48) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1881497 0.93 TLR8 (0.45) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1877724 0.92 TLR8 (0.44) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1876983 0.91 KDM4E (0.48) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1876911 0.90 KDM4E (0.48) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1881418 0.86 TLR8 (0.44) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1879198 0.86 KDM4E (0.50) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1871997 0.85 TLR8 (0.47) KDM4ETLR8GABRA1GABRG2GABRB3
SCHEMBL1874558 0.85 CDKN1A (0.57) KDM4ETLR8GABRA1GABRG2GABRB3

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