SCHEMBL2051761

SCHEMBL2051761

O=C(Cc1nc[nH]n1)N1CCCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 10/20 0.41
▸ ADORA2A P29274 1/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ MC4R P32245 1/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL2037534 0.90 EIF2AK4 (0.40) EIF2AK4ADORA2AJAK2JAK1JAK3
SCHEMBL2037539 0.90 EIF2AK4 (0.40) EIF2AK4ADORA2AJAK2JAK1JAK3
SCHEMBL12611068 0.87 EIF2AK4 (0.45) EIF2AK4ADORA2AJAK2JAK1JAK3
SCHEMBL2039830 0.86 MC4R (0.46) EIF2AK4JAK2JAK1JAK3MC4R
SCHEMBL2039828 0.86 MC4R (0.46) EIF2AK4JAK2JAK1JAK3MC4R
SCHEMBL2033313 0.86 JAK2 (0.43) EIF2AK4JAK2JAK1JAK3RAB9A
SCHEMBL2033315 0.86 JAK2 (0.43) EIF2AK4JAK2JAK1JAK3RAB9A
SCHEMBL2002185 0.85 EIF2AK4 (0.47) EIF2AK4JAK2JAK1JAK3
SCHEMBL2040116 0.85 EIF2AK4 (0.47) EIF2AK4JAK2JAK1JAK3FLT3
SCHEMBL2040117 0.85 EIF2AK4 (0.47) 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 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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