SCHEMBL4565790

SCHEMBL4565790

Nc1nc2cc(CO)ccc2n1C1CCCC(O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 5/20 0.54
▸ RPS6KB1 P23443 3/20 0.54
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ EGFR P00533 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GSK3B P49841 4/20 0.37
▸ ROCK1 Q13464 3/20 0.37
▸ RPS6KA5 O75582 1/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL2027616 0.86 PRKACA (0.60) PRKACARPS6KB1IRAK4KDM4EALDH1A1
SCHEMBL2033562 0.85 PRKACA (0.53) PRKACARPS6KB1IRAK4EGFRKDM4E
SCHEMBL2033557 0.85 PRKACA (0.53) PRKACARPS6KB1IRAK4EGFRKDM4E
SCHEMBL21310848 0.81 KDM4E (0.38) PRKACARPS6KB1EGFRKDM4EALDH1A1
SCHEMBL21310847 0.81 KDM4E (0.38) PRKACARPS6KB1EGFRKDM4EALDH1A1
SCHEMBL21311234 0.80 PRKACA (0.47) PRKACARPS6KB1EGFRGSK3BROCK1
SCHEMBL21311242 0.80 PRKACA (0.47) PRKACARPS6KB1EGFRGSK3BROCK1
SCHEMBL21311262 0.80 PRKACA (0.47) PRKACARPS6KB1EGFRGSK3BROCK1
SCHEMBL21311265 0.80 PRKACA (0.47) PRKACARPS6KB1EGFRGSK3BROCK1
SCHEMBL21310906 0.77 RPS6KB1 (0.58) RPS6KB1EGFRKDM4EIDH1

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-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 — — EP disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 — — WO disclosed
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