SCHEMBL4781141

SCHEMBL4781141

Cc1ncc(N)cc1-n1cc(C(=O)CC(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 9/20 0.38
IRAK4 Q9NWZ3 1/20 0.31
GLA P06280 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL14293533 0.82 KMT2A (0.34) ESRRA
SCHEMBL4781804 0.76 GPR119 (0.37) ESRRA
SCHEMBL14292741 0.76 MIF (0.38) ESRRA
SCHEMBL4783896 0.71 CYP1A2 (0.33) LRRK2
SCHEMBL4782117 0.70 TEK (0.41) IRAK4
SCHEMBL4782676 0.70 RXRA (0.34)
SCHEMBL14293540 0.69 RXRA (0.34) ESRRALRRK2
SCHEMBL14293541 0.68
SCHEMBL14023204 0.67 FFAR1 (0.37) GLA
SCHEMBL14293383 0.65 RXRA (0.35) ESRRA

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