SCHEMBL10123972

SCHEMBL10123972

CCCC(C(C)C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c(C)c3C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 17/20 0.64
KCNH2 Q12809 9/20 0.64
RIPK3 Q9Y572 2/20 0.44
MAPK14 Q16539 2/20 0.44
GAK O14976 2/20 0.44
LCK P06239 1/20 0.44
TGFBR1 P36897 1/20 0.44
ROCK1 Q13464 1/20 0.43
RIPK1 Q13546 2/20 0.42
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
PKMYT1 Q99640 1/20 0.41

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
SCHEMBL600919 0.86 RIPK2 (0.74) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL10123969 0.79 RIPK2 (0.78) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL601819 0.78 RIPK2 (1.00) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL599934 0.78 RIPK2 (0.70) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL602467 0.77 RIPK2 (0.82) RIPK2KCNH2RIPK3MAPK14GAK
Water SCHEMBL601248 0.77 RIPK2 (0.98) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL600965 0.74 RIPK2 (0.65) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL601925 0.74 RIPK2 (0.64) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL12496283 0.73 RIPK2 (0.63) RIPK2KCNH2RIPK3MAPK14GAK
SCHEMBL601822 0.73 RIPK2 (0.63) RIPK2KCNH2RIPK3MAPK14GAK

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-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed