SCHEMBL4782676

SCHEMBL4782676

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.34
GRIN1 Q05586 15/20 0.34
GRIN2B Q13224 15/20 0.34
DHODH Q02127 1/20 0.33
APP P05067 2/20 0.32
NPC1 O15118 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
SCHEMBL4783896 0.74 CYP1A2 (0.33)
SCHEMBL4781804 0.72 GPR119 (0.37)
SCHEMBL14292741 0.72 MIF (0.38)
SCHEMBL14293541 0.70
SCHEMBL4781141 0.70 ESRRA (0.38)
SCHEMBL13436193 0.62 FLT3 (0.34)
SCHEMBL4781912 0.62 HTT (0.36)
SCHEMBL14688544 0.61
SCHEMBL15869706 0.61 BRAF (0.51)
SCHEMBL14909053 0.61 NOTUM (0.42)

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