SCHEMBL28639902

SCHEMBL28639902

CC(CCNc1nc(NC(C)(C)C)ncc1N)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.38
JAK1 P23458 6/20 0.38
JAK2 O60674 5/20 0.38
TYK2 P29597 3/20 0.38
MAPK8 P45983 8/20 0.36
MAPK9 P45984 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK3 P27361 2/20 0.34
SYK P43405 3/20 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
SCHEMBL28639475 0.84 PRKCQ (0.41) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL19665710 0.81 MAPK8 (0.45) MAPK8MAPK9SYK
SCHEMBL19665717 0.81 JAK1 (0.37) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL29802436 0.80 STK17B (0.37) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL28652855 0.80 JAK3 (0.38) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL29290164 0.78 JAK2 (0.34) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL19665711 0.77 MAPK8 (0.38) JAK3JAK1JAK2MAPK8MAPK9
SCHEMBL19665693 0.74 SIRT5 (0.41) MAPK8MAPK9ADORA3MAPK10
SCHEMBL19665726 0.73 STK17B (0.56)
SCHEMBL29802472 0.73 STK17B (0.56)

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-109563095-B Animal and human antimalarial agents 细胞基因公司 2021-10-29 CN disclosed