SCHEMBL14976231

SCHEMBL14976231

CC(C)(C)N(C(=O)O)[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.42
SYK P43405 1/20 0.40
BTK Q06187 2/20 0.39
IRAK4 Q9NWZ3 15/20 0.37
CHEK1 O14757 1/20 0.32
RPS6KA3 P51812 1/20 0.32
SRPK1 Q96SB4 1/20 0.32

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
SCHEMBL17079782 0.80 JAK3 (0.46) JAK3SYKBTKIRAK4
SCHEMBL14956179 0.80 JAK3 (0.46) JAK3SYKBTKIRAK4
SCHEMBL14956530 0.80 JAK3 (0.46) JAK3SYKBTKIRAK4
SCHEMBL17745697 0.78 JAK2 (0.33) JAK3SYKIRAK4
SCHEMBL14961880 0.78 JAK3 (0.58) JAK3SYKBTKIRAK4
SCHEMBL17745696 0.77 SYK (0.44) SYK
SCHEMBL14976450 0.76 SYK (0.57) SYK
SCHEMBL376771 0.75 JAK3 (0.48) JAK3SYKBTKIRAK4
SCHEMBL495955 0.73 MEN1 (0.33) IRAK4CHEK1RPS6KA3SRPK1
SCHEMBL18283495 0.73 BTK (0.46) JAK3SYKBTKIRAK4

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