SCHEMBL21886826

SCHEMBL21886826

CC(C)(C)OC(=O)N1CCC(Oc2c(O)ccc(Br)c2C#N)C(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.40
ALK Q9UM73 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KCNH2 Q12809 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL25987132 0.90 PDE4B (0.40) GPR119
SCHEMBL30988791 0.87 GPR119 (0.37) GPR119ALKKCNH2
SCHEMBL30988767 0.83 GPR119 (0.37) GPR119ALK
SCHEMBL21886828 0.83 GPR119 (0.37) GPR119ALK
SCHEMBL28560474 0.83 GPR119 (0.37) GPR119ALK
SCHEMBL21886629 0.81 HRH3 (0.32)
SCHEMBL17630410 0.77 TBK1 (0.44) GPR119
SCHEMBL17630409 0.77 TBK1 (0.44) GPR119
SCHEMBL20934896 0.76 GPR119 (0.40) GPR119
SCHEMBL20934757 0.76 GPR119 (0.40) GPR119

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-2020057511-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-26 WO disclosed