SCHEMBL6949303

SCHEMBL6949303

CC(C)Sc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](CO)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.56
CSNK1D P48730 4/20 0.55
PRKD3 O94806 3/20 0.55
MAP4K4 O95819 3/20 0.55
CSNK1A1 P48729 3/20 0.55
MINK1 Q8N4C8 3/20 0.55
MAP4K5 Q9Y4K4 3/20 0.55
MAPK13 O15264 3/20 0.55
MAPK12 P53778 3/20 0.55
MAPK11 Q15759 3/20 0.55
LCK P06239 2/20 0.55
MAPK9 P45984 2/20 0.55
PRKD2 Q9BZL6 2/20 0.55
PRKCA P17252 2/20 0.55
EGFR P00533 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAF1 P04049 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL6578849 0.90 MAPK14 (0.68) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL6949309 0.86 MAPK14 (0.56) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL6951022 0.82 MAPK14 (0.54) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL6950960 0.79 MAPK14 (0.79) MAPK14
SCHEMBL6950963 0.79 MAPK14 (0.79) MAPK14
SCHEMBL4908397 0.79 MAPK14 (0.72) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL4908399 0.79 MAPK14 (0.72) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL4915688 0.78 MAPK14 (0.73) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL6951026 0.78 MAPK14 (0.54) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1
SCHEMBL20550929 0.77 MAPK14 (0.72) MAPK14CSNK1DPRKD3MAP4K4CSNK1A1

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-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed