SCHEMBL12643673

SCHEMBL12643673

C=C([C@H](O)C(C)(C)C)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 17/20 0.42
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ FLT3 P36888 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
SCHEMBL2035859 0.91 EIF2AK4 (0.46) EIF2AK4FLT3
SCHEMBL2035861 0.91 EIF2AK4 (0.46) EIF2AK4FLT3
SCHEMBL12643715 0.89 EIF2AK4 (0.40) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL12614643 0.85 EIF2AK4 (0.47) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL12643893 0.84 EIF2AK4 (0.43) EIF2AK4FLT3
SCHEMBL12643822 0.84 EIF2AK4 (0.44) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL2036807 0.83 EIF2AK4 (0.47) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL2000295 0.83 EIF2AK4 (0.47) EIF2AK4
SCHEMBL2000293 0.83 EIF2AK4 (0.47) EIF2AK4
SCHEMBL12643884 0.83 EIF2AK4 (0.41) EIF2AK4JAK2JAK1JAK3FLT3

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-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 — — WO disclosed
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