SCHEMBL17745697

SCHEMBL17745697

CC(C)(C)N(C(=O)O)[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
AR P10275 2/20 0.33
SYK P43405 6/20 0.32
KCNH2 Q12809 2/20 0.31
JAK3 P52333 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL14842452 0.83 SYK (0.37) SYKKCNH2
SCHEMBL15644804 0.80 SYK (0.37) JAK2JAK1ARSYKKCNH2
SCHEMBL15644802 0.80 SYK (0.37) JAK2JAK1ARSYKKCNH2
SCHEMBL17745696 0.78 SYK (0.44) JAK2JAK1SYKKCNH2
SCHEMBL14976231 0.78 JAK3 (0.42) SYKJAK3IRAK4
SCHEMBL14851183 0.78 JAK3 (0.44) ARSYKJAK3
SCHEMBL495857 0.74 MEN1 (0.31)
SCHEMBL15968485 0.73 SYK (0.43) SYKKCNH2IRAK4
SCHEMBL496358 0.71 CHEK1 (0.36) AR
SCHEMBL495955 0.71 MEN1 (0.33) ARIRAK4

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
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed