SCHEMBL14976401

SCHEMBL14976401

NC[C@@H](CC=O)Nc1cnc(C(N)=O)c(Nc2cnn3ccccc23)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.37
▸ EPHB3 P54753 3/20 0.34
▸ JAK2 O60674 3/20 0.32
▸ JAK1 P23458 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ LCK P06239 1/20 0.31

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
SCHEMBL14977132 0.84 EPHB3 (0.34) SYKEPHB3JAK2JAK1JAK3
SCHEMBL14956467 0.81 SYK (0.39) SYKEPHB3JAK2JAK1JAK3
SCHEMBL14976405 0.81 JAK2 (0.38) SYKEPHB3JAK2JAK1JAK3
SCHEMBL14956465 0.81 SYK (0.39) SYKEPHB3JAK2JAK1JAK3
SCHEMBL14955499 0.73 SYK (0.61) SYKJAK2JAK3TYK2KCNH2
SCHEMBL14955804 0.72 SYK (0.51) SYKJAK2JAK1JAK3TYK2
SCHEMBL14956138 0.72 IRAK4 (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14956136 0.72 IRAK4 (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14976282 0.70 SYK (0.35) SYKJAK2JAK3TYK2KCNH2
SCHEMBL14975825 0.70 SYK (0.35) SYKJAK2JAK3TYK2KCNH2

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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