SCHEMBL16615167

SCHEMBL16615167

Fc1ccc(Cl)c(CN2CCNc3c2c2c(-c4nnc(C5CCNCC5)[nH]4)n3-2)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 2/20 0.31
JAK2 O60674 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
SCHEMBL16615086 0.86
SCHEMBL16615186 0.84 ALK (0.34)
SCHEMBL16615200 0.80 CHRM1 (0.45) MAP4K3JAK2
SCHEMBL17918711 0.79 ALK (0.39) MAP4K3JAK2
SCHEMBL17969784 0.75 MAP4K3 (0.33) MAP4K3JAK2
SCHEMBL16615365 0.75 PLK4 (0.35) JAK2
SCHEMBL16615079 0.74 PLK4 (0.38) JAK2
SCHEMBL16615279 0.73 HDAC1 (0.33) JAK2
SCHEMBL20859347 0.72 MAP4K3 (0.33) MAP4K3JAK2
SCHEMBL16615121 0.72 ALK (0.39) JAK2

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
WO-2015047133-A1 NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" 2015-04-02 WO disclosed