SCHEMBL14464769

SCHEMBL14464769

Oc1cc(-c2ccnc3[nH]ccc23)ccc1P

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.57
▸ CDK12 Q9NYV4 2/20 0.57
▸ PRKCI P41743 8/20 0.56
▸ IKBKB O14920 4/20 0.55
▸ CHUK O15111 4/20 0.55
▸ AURKB Q96GD4 3/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ PAK4 O96013 1/20 0.55
▸ CSF1R P07333 1/20 0.55
▸ RET P07949 1/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ FGFR1 P11362 1/20 0.55
▸ PRKACA P17612 1/20 0.55
▸ FLT1 P17948 1/20 0.55
▸ LTK P29376 1/20 0.55
▸ GRK5 P34947 1/20 0.55
▸ KDR P35968 1/20 0.55

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
SCHEMBL2240782 0.82 AURKB (0.61) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL23496993 0.80 TLR8 (0.58) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL31065020 0.79 IKBKB (0.70) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL4771643 0.79 IKBKB (0.70) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL1717701 0.77 NUDT1 (0.69) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL14462437 0.76 NUDT1 (0.65) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL1717710 0.75 PRKCI (0.61) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL1718138 0.75 NUDT1 (0.67) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL2240671 0.74 AURKB (0.71) CCNKCDK12PRKCIIKBKBCHUK
SCHEMBL1838406 0.74 NUDT1 (0.67) CCNKCDK12PRKCIIKBKBCHUK

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-2007076320-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 — — WO disclosed
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