SCHEMBL14975962

SCHEMBL14975962

CC(Nc1cnc(C(N)=O)c(Nc2ccc(CN3CCOCC3)cc2)n1)C(C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.49
▸ TNIK Q9UKE5 1/20 0.43
▸ AURKA O14965 2/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL14976339 0.90 RPS6KB1 (0.46) SYKTNIKAURKARPS6KB1EGFR
SCHEMBL14956331 0.90 SYK (0.47) SYKTNIKAURKARPS6KB1EGFR
SCHEMBL14956333 0.90 SYK (0.47) SYKTNIKAURKARPS6KB1EGFR
SCHEMBL14975714 0.80 JAK3 (0.46) SYKTNIKRPS6KB1JAK2JAK3
SCHEMBL14975708 0.80 SYK (0.40) SYKRPS6KB1EGFRJAK2JAK3
SCHEMBL14955870 0.80 AURKA (0.46) SYKTNIKAURKARPS6KB1EGFR
SCHEMBL14955869 0.80 AURKA (0.46) SYKTNIKAURKARPS6KB1EGFR
SCHEMBL14975942 0.77 SYK (0.50) SYKRPS6KB1EGFRJAK2JAK3
SCHEMBL14977027 0.75 BTK (0.46) SYKRPS6KB1JAK2JAK3KDM4E
SCHEMBL14975905 0.75 SYK (0.52) SYKRPS6KB1EGFRJAK2JAK3

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-2782579-A1 PYRAZINE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 — — EP disclosed
WO-2013078466-A1 PYRAZINE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
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