SCHEMBL4783774

SCHEMBL4783774

Cc1ncc(Nc2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NCC(C)(C)CO)nn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
CNR1 P21554 10/20 0.35
TYK2 P29597 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
KLKB1 P03952 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TEK Q02763 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL4779207 0.93 NR1I2 (0.38) NR1I2CNR2IRAK4KLKB1USP30
SCHEMBL4783784 0.90 TEK (0.40) NR1I2CNR1CNR2TEK
SCHEMBL4780027 0.87 NR1I2 (0.36) NR1I2IRAK4KLKB1USP30TEK
SCHEMBL4782188 0.84 MEN1 (0.42) NR1I2
SCHEMBL4782621 0.84 GLS (0.43) NR1I2KLKB1
SCHEMBL4782886 0.83 NR1I2 (0.38) NR1I2IRAK4GPR119
SCHEMBL4799754 0.83 MAPK14 (0.37) NR1I2CNR1TYK2PDE4DCNR2
SCHEMBL4783414 0.83 NR1I2 (0.35) NR1I2CNR2IRAK4USP30GPR119
SCHEMBL4782660 0.83 NR1I2 (0.42) NR1I2KLKB1USP30TEK
SCHEMBL4779210 0.82 TEK (0.41) NR1I2TEK

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed