SCHEMBL28316985

SCHEMBL28316985

CC(C)CN=C=O.CC(N=C=O)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.33
FFAR1 O14842 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
MIF P14174 2/20 0.32
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16034537 0.87 MIF (0.39) HSD11B1HTTMIFALDH1A1
SCHEMBL14861683 0.87 MIF (0.39) HSD11B1HTTMIFALDH1A1
SCHEMBL2477922 0.87 MIF (0.39) HSD11B1HTTMIFALDH1A1
SCHEMBL443529 0.77 MIF (0.46) MIF
SCHEMBL22839887 0.73 MIF (0.35) MIF
SCHEMBL7190192 0.73 MIF (0.35) MIF
SCHEMBL22279374 0.72 MIF (0.42) HTTMIFKDM4EALDH1A1
SCHEMBL21304587 0.72 MIF (0.42) HTTMIFKDM4EALDH1A1
SCHEMBL22279434 0.71 PTGS1 (0.49)
SCHEMBL28660955 0.71 PTGS1 (0.49)

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-110267960-A Substituted pyrazolo [1,5-a] pyrazine compound as RET kinase inhibitor 阿雷生物药品公司 2019-09-20 CN disclosed