SCHEMBL28590955

SCHEMBL28590955

CC(C)(C)OC(=O)NC1CCCc2cc(-c3ccnc(N)c3[N+](=O)[O-])ccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.43
▸ KCNH2 Q12809 1/20 0.39
▸ BDKRB1 P46663 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21791249 0.88 BTK (0.46) BTKKCNH2BDKRB1
SCHEMBL21776789 0.87 BTK (0.41) BTKKCNH2MEN1KMT2APOLB
SCHEMBL21776824 0.85 BTK (0.47) BTKKCNH2BDKRB1
SCHEMBL28590953 0.77 KDM4C (0.40) BTK
SCHEMBL19878131 0.76 BTK (0.67) BTKKCNH2BDKRB1
SCHEMBL20683040 0.76 BTK (0.45) BTKBDKRB1
SCHEMBL29766552 0.76 BTK (0.45) BTKBDKRB1
SCHEMBL18179513 0.73 AAK1 (0.43) BTKBDKRB1
SCHEMBL17660340 0.73 AKT1 (0.44) BTKMEN1KMT2AMAPT
SCHEMBL29918950 0.73 AAK1 (0.43) BTKBDKRB1

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
CN-112930213-A Fused imidazopyridines as reversible inhibitors of Bruton's Tyrosine Kinase (BTK) 默克专利有限公司 2021-06-08 — — CN disclosed
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