SCHEMBL2033587

SCHEMBL2033587

CCCN1CC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.39
▸ JAK1 P23458 5/20 0.39
▸ JAK3 P52333 5/20 0.39
▸ EIF2AK4 Q9P2K8 13/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ IRAK4 Q9NWZ3 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
SCHEMBL12643819 0.83 MC4R (0.43) JAK2JAK1JAK3EIF2AK4FLT3
SCHEMBL12615713 0.82 EIF2AK4 (0.43) EIF2AK4
SCHEMBL12643666 0.82 EIF2AK4 (0.43) EIF2AK4
SCHEMBL12614643 0.81 EIF2AK4 (0.47) JAK2JAK1JAK3EIF2AK4FLT3
SCHEMBL2032773 0.81 FLT3 (0.45) JAK2JAK1JAK3EIF2AK4FLT3
SCHEMBL1995335 0.81 EIF2AK4 (0.43) EIF2AK4IRAK4
SCHEMBL15194656 0.80 JAK2 (0.41) JAK2JAK1JAK3EIF2AK4
SCHEMBL15194612 0.80 JAK2 (0.41) JAK2JAK1JAK3EIF2AK4
SCHEMBL1994465 0.80 EIF2AK4 (0.46) JAK2JAK1JAK3EIF2AK4IRAK4
SCHEMBL12610845 0.80 EIF2AK4 (0.46) JAK2JAK1JAK3EIF2AK4IRAK4

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