SCHEMBL6622893

SCHEMBL6622893

COCCn1c(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c(-c2ccc(F)cc2)c(=O)n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.64
MAPK13 O15264 11/20 0.64
MAPK12 P53778 10/20 0.64
MAPK11 Q15759 10/20 0.64
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
LCK P06239 1/20 0.51
LYN P07948 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT2 P31751 1/20 0.51
FLT4 P35916 1/20 0.51
FLT3 P36888 1/20 0.51
FRK P42685 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CSNK1G2 P78368 1/20 0.51

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
SCHEMBL6622898 1.00 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6636543 0.93 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6636545 0.93 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6619266 0.88 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6622012 0.86 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6622017 0.86 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6619647 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6619645 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6666766 0.85 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666759 0.85 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11

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-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP claimed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO claimed