SCHEMBL4583055

SCHEMBL4583055

OC1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Oc4ccccc4)n3)[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.61
CSNK1A1 P48729 2/20 0.45
CSNK1D P48730 2/20 0.45
RPS6KA3 P51812 1/20 0.45
MAPK13 O15264 3/20 0.44
RAF1 P04049 3/20 0.44
MAPK9 P45984 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
EGFR P00533 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PRKCA P17252 1/20 0.44
CYP2C19 P33261 1/20 0.44
FRK P42685 1/20 0.44

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
SCHEMBL8120061 0.95 MAPK14 (0.55) MAPK14CSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL7812847 0.91 MAPK14 (0.54) MAPK14CSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL8103967 0.90 MAPK14 (0.56) MAPK14CSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL4586526 0.90 MAPK14 (0.61) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4585291 0.88 MAPK14 (0.63) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4586046 0.86 MAPK14 (0.59) MAPK14CSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL4587201 0.86 MAPK14 (0.59) MAPK14CSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL4583748 0.86 MAPK14 (0.59) MAPK14CSNK1A1CSNK1DRPS6KA3MAPK13
SCHEMBL4584142 0.86 MAPK14 (0.63) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4584672 0.84 MAPK14 (0.60) MAPK14MAPK13RAF1MAPK9MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO disclosed
WO-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 WO disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO 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