SCHEMBL2713294

SCHEMBL2713294

CCC(Nc1nc(Cl)c(C#N)cc1F)N(C(=O)O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.36
ACHE P22303 4/20 0.34
POLB P06746 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
BCHE P06276 3/20 0.32
BCL2A1 Q16548 1/20 0.32
TBK1 Q9UHD2 4/20 0.31
GPR65 Q8IYL9 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 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
SCHEMBL2712714 0.83 KDM4E (0.47) JAK2JAK3UBE2MDCUN1D1
SCHEMBL14928348 0.76 KHK (0.41) KHKACHEPOLBJAK2JAK3
SCHEMBL16164779 0.75 KHK (0.35) KHKACHEPOLBBCHE
SCHEMBL16164780 0.75 KHK (0.35) KHKACHEPOLBBCHE
SCHEMBL14928687 0.75 SOS1 (0.43) KHKACHEPOLBJAK2JAK3
SCHEMBL16164181 0.75 KHK (0.40) KHKPOLB
SCHEMBL2712638 0.74 KHK (0.45) KHK
SCHEMBL2712632 0.74 KHK (0.45) KHK
SCHEMBL14908857 0.74 KHK (0.36) KHK
SCHEMBL14909075 0.74 KHK (0.34) KHKACHEJAK2JAK3BCHE

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-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed