SCHEMBL5257282

SCHEMBL5257282

C[C@H](O)Cc1nc(N[C@H](C)CO)nc2[nH]c(=O)c(Oc3ccc(F)cc3F)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.40
▸ MAPK11 Q15759 4/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ RPS6KA4 O75676 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ NLK Q9UBE8 1/20 0.38
▸ KCNH3 Q9ULD8 2/20 0.37
▸ AXL P30530 3/20 0.36
▸ TYRO3 Q06418 3/20 0.36
▸ MERTK Q12866 3/20 0.36
▸ MET P08581 2/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36

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 0.81 MAPK14 (0.58) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL14266337 0.81 MAPK14 (0.58) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL21621158 0.67 MAPK14 (0.67) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL2942640 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL3028823 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL2943688 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL2944575 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL2939734 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL29634515 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10
SCHEMBL2939727 0.67 MAPK14 (0.65) MAPK14MAPK11MAPK8MAPK9MAPK10

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-1685131-B1 HYDROXYALKYL SUBSTITUTED PYRIDO-7-PYRIMIDIN-7-ONES HOFFMANN LA ROCHE (CH) 2007-03-07 — — EP disclosed
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