SCHEMBL2215104

SCHEMBL2215104

CCOC(=O)Oc1c(OCCO)nn(-c2cc(C(=O)NC3CC3)ccc2C)c1N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.46
MAPK11 Q15759 1/20 0.41
SSTR5 P35346 1/20 0.40
RIPK2 O43353 1/20 0.40
PAX8 Q06710 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12964192 0.89 MAPK14 (0.47) MAPK14MAPK11SSTR5RIPK2CYP3A4
SCHEMBL2216787 0.87 MAPK14 (0.48) MAPK14MAPK11SSTR5PAX8CYP3A4
SCHEMBL1386596 0.86 LMNA (0.55) MAPK14MAPK11SSTR5RIPK2LMNA
SCHEMBL2214450 0.84 MAPK14 (0.46) MAPK14MAPK11SSTR5RIPK2PAX8
SCHEMBL2218015 0.82 LMNA (0.45) MAPK14LMNA
SCHEMBL2220451 0.78 MAPK14 (0.48) MAPK14MAPK11SSTR5RIPK2CYP3A4
SCHEMBL11965674 0.77 MAPK14 (0.48) MAPK14MAPK11LMNACYP3A4CYP2C9
SCHEMBL1385239 0.77 MAPK14 (0.49) MAPK14MAPK11SSTR5RIPK2
SCHEMBL1416943 0.76 MAPK14 (0.47) MAPK14MAPK11SSTR5LMNACYP3A4
SCHEMBL1382659 0.76 MAPK14 (0.50) MAPK14MAPK11PAX8CYP3A4CYP2C9

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
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed