SCHEMBL1871997

SCHEMBL1871997

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
MAPK1 P28482 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
AOX1 Q06278 1/20 0.45
PDE3A Q14432 1/20 0.45
BRAF P15056 9/20 0.40
GSK3A P49840 3/20 0.40
PIM1 P11309 2/20 0.40
CDK1 P06493 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
PLK1 P53350 1/20 0.40
AURKB Q96GD4 1/20 0.40
CDKN1A P38936 1/20 0.40
MAP2K1 Q02750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL1877268 0.94 KDM4E (0.46) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1877638 0.93 KDM4E (0.44) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1877954 0.93 TLR8 (0.48) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1878634 0.93 KDM4E (0.46) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1873543 0.91 KDM4E (0.47) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1874746 0.91 TLR8 (0.51) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1876941 0.87 KDM4E (0.45) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1878240 0.87 TLR8 (0.52) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL10730992 0.86 KDM4E (0.55) TLR8KDM4EGABRA1GABRG2GABRB3
SCHEMBL1881497 0.86 TLR8 (0.45) TLR8KDM4EGABRA1GABRG2GABRB3

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