SCHEMBL28073266

SCHEMBL28073266

CNc1ncc(C(=O)O)c(C2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.39
HSD11B1 P28845 13/20 0.38
DHODH Q02127 2/20 0.37
LRRK2 Q5S007 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1015670 0.79 HSD11B1 (0.50) HSD11B1DHODHSMN1; SMN2
SCHEMBL3822431 0.77 POLB (0.37) HSD11B1DHODHSMN1; SMN2
SCHEMBL28087809 0.76 DHODH (0.39) HSD11B1DHODHSMN1; SMN2
SCHEMBL8140882 0.75 KDM4E (0.39) HSD11B1DHODHSMN1; SMN2
SCHEMBL1014948 0.75 MEN1 (0.46) DHODH
SCHEMBL1016549 0.75 KMT2A (0.37) HSD11B1DHODH
SCHEMBL11085371 0.75 KDM4C (0.40) CSNK2A1LRRK2KDM4C
SCHEMBL17197228 0.75 LRRK2 (0.45) CSNK2A1LRRK2KDM4C
SCHEMBL12796031 0.74 HSD11B1 (0.45) HSD11B1
SCHEMBL2789966 0.73 MERTK (0.33) LRRK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814054-B Condensed imidazole and pyrazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-09-25 CN disclosed
CN-105814045-B Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2017-08-25 CN disclosed
CN-105814055-B As the condensed imidazole and pyrazole derivatives of TNF active regulators UCB生物制药私人有限公司 2017-05-31 CN disclosed
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814045-A Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814055-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed