SCHEMBL2878621

SCHEMBL2878621

O=C(O)CCCc1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.47
▸ NUDT1 P36639 3/20 0.45
▸ TBXAS1 P24557 2/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ PRKCI P41743 3/20 0.42
▸ AXL P30530 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MET P08581 1/20 0.42
▸ IKBKB O14920 2/20 0.42
▸ CHUK O15111 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ FGFR1 P11362 1/20 0.42

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
SCHEMBL12605518 0.91 PARP1 (0.56) PARP1NUDT1NOTUMPRKCIAXL
SCHEMBL2878520 0.85 NUDT1 (0.48) NUDT1PRKCIAXLMETIKBKB
SCHEMBL19648515 0.78 PRKCI (0.47) NUDT1PRKCIAXLMETIKBKB
SCHEMBL12605516 0.78 NUDT1 (0.47) PARP1NUDT1PRKCIAXLMET
SCHEMBL2876216 0.75 NUDT1 (0.60) NUDT1PRKCIAXLIKBKBCHUK
SCHEMBL15077817 0.74 PRKCI (0.50) NUDT1PRKCIAXLIKBKBCHUK
SCHEMBL13069320 0.74 PRKCI (0.50) NUDT1PRKCIAXLMETIKBKB
SCHEMBL239630 0.74 NUDT1 (0.54) NUDT1PRKCIAXLIKBKBCHUK
SCHEMBL1748621 0.74 PRKCI (0.53) NUDT1PRKCIAXLIKBKBCHUK
SCHEMBL28311692 0.74 PRKCI (0.53) NUDT1PRKCIAXLIKBKBCHUK

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-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 — — EP disclosed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 — — EP disclosed
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