SCHEMBL16809667

SCHEMBL16809667

CNCc1ccc(-c2ncnc3[nH]c(-c4ccc(C(=O)N5CCOCC5)cc4)cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 12/20 0.60
RIPK1 Q13546 1/20 0.52
BTK Q06187 3/20 0.50
CSF1R P07333 2/20 0.48
KIT P10721 2/20 0.45

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
SCHEMBL16793805 0.90 TBK1 (0.60) TBK1RIPK1BTKCSF1RKIT
SCHEMBL25592986 0.89 TBK1 (0.56) TBK1RIPK1BTKCSF1RKIT
SCHEMBL16793789 0.87 TBK1 (0.55) TBK1RIPK1BTKCSF1RKIT
SCHEMBL16793853 0.87 BTK (0.57) TBK1RIPK1BTKKIT
SCHEMBL4067498 0.82 RIPK1 (0.59) TBK1RIPK1BTKCSF1R
SCHEMBL28129363 0.79 TBK1 (0.68) TBK1RIPK1BTK
SCHEMBL4062847 0.79 RIPK1 (0.58) TBK1RIPK1BTKCSF1R
SCHEMBL23775255 0.78 ALDH1A1 (0.58)
SCHEMBL17290038 0.75 TBK1 (1.00) TBK1
SCHEMBL18197638 0.74 TBK1 (0.48) TBK1RIPK1BTK

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-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed