SCHEMBL6950701

SCHEMBL6950701

CSc1nccc(-c2[nH]c(C3CCC(O)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.60
CSNK1D P48730 4/20 0.60
JAK3 P52333 1/20 0.60
CSNK1A1 P48729 2/20 0.51
RPS6KA3 P51812 1/20 0.51
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
RAF1 P04049 4/20 0.47
MAPK9 P45984 4/20 0.47
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CSNK1E P49674 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
EGFR P00533 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4585060 1.00 MAPK14 (0.60) MAPK14CSNK1DJAK3CSNK1A1RPS6KA3
SCHEMBL4585443 0.89 MAPK14 (0.57) MAPK14CSNK1DJAK3CSNK1A1RPS6KA3
SCHEMBL4584925 0.89 MAPK14 (0.61) MAPK14CSNK1DJAK3CSNK1A1RPS6KA3
SCHEMBL4583956 0.87 MAPK14 (0.57) MAPK14CSNK1DJAK3CSNK1A1RPS6KA3
SCHEMBL8099899 0.85 CSNK1D (0.55) MAPK14CSNK1DJAK3CSNK1A1RPS6KA3
SCHEMBL4585531 0.84 MAPK14 (0.57) MAPK14CSNK1DCSNK1A1RPS6KA3MAPK13
SCHEMBL4587201 0.84 MAPK14 (0.59) MAPK14CSNK1DCSNK1A1RPS6KA3MAPK13
SCHEMBL4583748 0.84 MAPK14 (0.59) MAPK14CSNK1DCSNK1A1RPS6KA3MAPK13
SCHEMBL4586046 0.84 MAPK14 (0.59) MAPK14CSNK1DCSNK1A1RPS6KA3MAPK13
SCHEMBL8549534 0.82 MAPK14 (0.50) MAPK14CSNK1DJAK3CSNK1A1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-0889888-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP disclosed
WO-1997035856-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed