SCHEMBL21158092

SCHEMBL21158092

CC(NC(=O)OC(C)(C)C)Nc1ncc(C(N)=O)cc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
AAK1 Q2M2I8 3/20 0.35
JAK2 O60674 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT1 Q99873 1/20 0.32

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
SCHEMBL4269459 0.77 TRPA1 (0.41) TRPA1AAK1CA1CA2CA7
SCHEMBL30885601 0.74 STING1 (0.37) JAK2
SCHEMBL21616400 0.74 STING1 (0.37) JAK2
SCHEMBL2280234 0.67 KDM4E (0.44) CA1CA2CA7CA9KDM4E
SCHEMBL21724558 0.67 AAK1 (0.38) TRPA1AAK1
SCHEMBL29995121 0.65 SYK (0.42) CA1CA2
SCHEMBL858165 0.65 AAK1 (0.42) AAK1CA1CA2
SCHEMBL21653459 0.64 STING1 (0.39) AAK1JAK2
SCHEMBL23873647 0.64 ALOX15 (0.44) JAK2KDM4EMAPTKMT2A
SCHEMBL4273252 0.64 LMNA (0.46) TRPA1KDM4EMAPTKMT2A

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-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed