SCHEMBL4780817

SCHEMBL4780817

Cc1ncc(Nc2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NN2CCCCC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
GPR119 Q8TDV5 2/20 0.34
CNR1 P21554 1/20 0.33
TEK Q02763 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CNR2 P34972 2/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL4783140 0.92 MAPK14 (0.36) NR1I2
SCHEMBL4782863 0.91 NR1I2 (0.40) NR1I2GPR119CNR1TEKSCN10A
SCHEMBL4782033 0.87 NR1I2 (0.35) NR1I2GPR119TEKIRAK4USP30
SCHEMBL4781607 0.86 ACKR3 (0.41) NR1I2GPR119CNR1IRAK4CNR2
SCHEMBL4782188 0.86 MEN1 (0.42) NR1I2
SCHEMBL4779207 0.84 NR1I2 (0.38) NR1I2GPR119TEKIRAK4CNR2
SCHEMBL4779570 0.83 SSTR4 (0.40) NR1I2GPR119
SCHEMBL4781871 0.83 MAPK14 (0.37) GPR119CNR1CNR2
SCHEMBL4780707 0.83 NR1I2 (0.36) NR1I2GPR119IRAK4
SCHEMBL4780027 0.82 NR1I2 (0.36) NR1I2GPR119TEKIRAK4USP30

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