SCHEMBL4782033

SCHEMBL4782033

Cc1ncc(Nc2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NN2C(C)CCCC2C)nn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
TEK Q02763 1/20 0.31
USP14 P54578 2/20 0.31
TYK2 P29597 1/20 0.30
STAT3 P40763 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
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
SCHEMBL4782038 0.91 TEK (0.39) NR1I2GPR119TEK
SCHEMBL4780817 0.87 NR1I2 (0.36) NR1I2GPR119TEKIRAK4USP30
SCHEMBL4781607 0.86 ACKR3 (0.41) NR1I2GPR119TYK2STAT3IRAK4
SCHEMBL4783254 0.84 MAPK14 (0.35) GPR119
SCHEMBL4780707 0.84 NR1I2 (0.36) NR1I2GPR119TYK2STAT3IRAK4
SCHEMBL4783140 0.84 MAPK14 (0.36) NR1I2
SCHEMBL4779570 0.83 SSTR4 (0.40) NR1I2GPR119
SCHEMBL4779207 0.82 NR1I2 (0.38) NR1I2GPR119TEKIRAK4USP30
SCHEMBL4783838 0.82 CHRNA7 (0.37) NR1I2GPR119USP30
SCHEMBL4781558 0.81 GLS (0.41)

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