SCHEMBL8387347

SCHEMBL8387347

CC(C)(C)OC(=O)n1c(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.46
MAPK14 Q16539 12/20 0.46
ALOX5 P09917 1/20 0.43
DHODH Q02127 2/20 0.42
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
GCGR P47871 2/20 0.42
CSNK1D P48730 2/20 0.40
GRIA1 P42261 1/20 0.40
MAPK10 P53779 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
SCHEMBL8390603 1.00 TNK2 (0.46) TNK2MAPK14ALOX5DHODHMAPK13
SCHEMBL8309777 0.88 MAPK14 (0.49) TNK2MAPK14ALOX5DHODHMAPK13
SCHEMBL8310271 0.88 MAPK14 (0.49) TNK2MAPK14ALOX5DHODHMAPK13
SCHEMBL3306458 0.83 MAPK14 (0.44) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL14838246 0.81 CKS1B (0.46) TNK2
SCHEMBL4980350 0.72 HMGCR (0.48)
SCHEMBL4980355 0.72 HMGCR (0.48)
SCHEMBL27793218 0.70 MAPK14 (0.48) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL23410401 0.69 GRIA1 (0.53) MAPK14GRIA1
SCHEMBL6643926 0.68 MAPK14 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955480-A GLUCAGON RECEPTOR ANTAGONISTS, CYTOKINE INHIBITORS MERCK & CO., INC. (US) 1999-09-21 US disclosed