SCHEMBL29717652

SCHEMBL29717652

CC1(Nc2ncc(N)c(NC3CCC(C(N)=O)CC3)n2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 9/20 0.51
▸ MAPK9 P45984 4/20 0.51
▸ SYK P43405 7/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ MAPK3 P27361 1/20 0.39
▸ MAPK6 Q16659 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL19666661 1.00 MAPK8 (0.51) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666660 1.00 MAPK8 (0.51) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666532 0.98 MAPK8 (0.51) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666534 0.98 MAPK8 (0.51) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL29717686 0.98 MAPK8 (0.51) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666606 0.96 MAPK8 (0.55) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666605 0.96 MAPK8 (0.55) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL29717699 0.96 MAPK8 (0.55) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666279 0.92 MAPK8 (0.49) MAPK8MAPK9SYKPDGFRBPDGFRA
SCHEMBL19666631 0.92 MAPK8 (0.49) MAPK8MAPK9SYKPDGFRBPDGFRA

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-109476696-B Anti-trypanosome and anti-leishmania agents for animals and humans 细胞基因公司 2022-06-10 — — CN disclosed
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