SCHEMBL21621158

SCHEMBL21621158

O=c1[nH]c2nc(NC(CCO)CCO)ncc2cc1Oc1ccc(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.67
▸ MAPK8 P45983 8/20 0.67
▸ MAPK11 Q15759 3/20 0.67
▸ MAPK9 P45984 2/20 0.67
▸ MAPK10 P53779 2/20 0.67
▸ RPS6KA4 O75676 1/20 0.67
▸ CSNK1E P49674 1/20 0.67
▸ RPS6KA3 P51812 1/20 0.67
▸ NLK Q9UBE8 1/20 0.67
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42

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
SCHEMBL14266338 0.86 MAPK14 (0.58) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL14266337 0.86 MAPK14 (0.58) MAPK14MAPK8MAPK11MAPK9MAPK10
Pamapimod SCHEMBL3636701 0.80 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
Pamapimod SCHEMBL29429421 0.80 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
Pamapimod SCHEMBL29379723 0.80 MAPK14 (1.00) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL5259440 0.78 MAPK14 (0.60) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL13239772 0.77 MAPK14 (0.93) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2944570 0.77 MAPK14 (0.77) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2944573 0.77 MAPK14 (0.77) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL22139066 0.77 MAPK14 (0.60) MAPK14MAPK8MAPK11MAPK9MAPK10

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
WO-2020011661-A1 COMBINATIONS OF PPAR AGONISTS AND P38 KINASE INHIBITORS FOR PREVENTING OR TREATING FIBROTIC DISEASES KINARUS AG (CH) 2020-01-16 — — WO disclosed
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