SCHEMBL21864683

SCHEMBL21864683

NC(=O)c1ccc2scc(-c3ccc(N4CCC(OCCO)CC4)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
GPR119 Q8TDV5 1/20 0.35
CHEK2 O96017 5/20 0.35
ACVR1 Q04771 2/20 0.35
LIPG Q9Y5X9 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
F10 P00742 1/20 0.33
BDKRB1 P46663 1/20 0.33

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
SCHEMBL21864681 0.77 FFAR1 (0.41) CHEK2
SCHEMBL1664049 0.73 USP2 (0.57) HRH3LIPG
SCHEMBL21697492 0.72 PARP14 (0.39) HRH3GPR119CHEK2ADRA2AADRA2B
SCHEMBL21864603 0.71 HTR1D (0.46)
SCHEMBL17888639 0.71 PARP14 (0.38) HRH3GPR119CHEK2LIPGADRA2A
SCHEMBL23190760 0.71 MAPT (0.46)
SCHEMBL21864622 0.71 MAPT (0.38) HRH3LIPG
SCHEMBL1318684 0.70 CDK8 (0.44) HRH3CHEK2LIPG
SCHEMBL17899367 0.70 MAPT (0.48) CHEK2
SCHEMBL17899403 0.70 PARP14 (0.37) HRH3GPR119CHEK2ADRA2AADRA2B

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-2020071550-A1 CDK8 INHIBITOR AND USE OF SAME 京都薬品工業株式会社 2020-04-09 WO disclosed