SCHEMBL2042345

SCHEMBL2042345

Fc1ccc2ncc(-c3nccc(N[C@@H]4CCCN([C]C5CCCCC5)C4)n3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 15/20 0.43
▸ IRAK4 Q9NWZ3 3/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ IRAK1 P51617 2/20 0.37
▸ LCK P06239 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ BLK P51451 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37

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
SCHEMBL2038662 0.82 EIF2AK4 (0.50) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL2038659 0.82 EIF2AK4 (0.50) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL12643822 0.81 EIF2AK4 (0.44) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL2036807 0.81 EIF2AK4 (0.47) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL12614643 0.79 EIF2AK4 (0.47) EIF2AK4IRAK4JAK2JAK1JAK3
SCHEMBL1992517 0.79 EIF2AK4 (0.51) EIF2AK4IRAK4
SCHEMBL1992515 0.79 EIF2AK4 (0.51) EIF2AK4IRAK4
SCHEMBL2042421 0.79 EIF2AK4 (0.43) EIF2AK4JAK2JAK1JAK3
SCHEMBL2038027 0.78 EIF2AK4 (0.46) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL2035490 0.78 JAK2 (0.44) EIF2AK4IRAK4JAK2JAK1JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 — — EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 — — WO disclosed
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