SCHEMBL28616752

SCHEMBL28616752

NC(=O)O[C@H]1C[C@H](n2cnc3cnc4[nH]ccc4c32)C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.62
JAK2 O60674 2/20 0.60
AURKA O14965 1/20 0.60
PRKCA P17252 1/20 0.60
KDR P35968 1/20 0.60
JAK3 P52333 1/20 0.60

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
SCHEMBL28630058 1.00 JAK1 (0.62) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12385471 0.82 JAK1 (0.65) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2295441 0.82 JAK1 (0.65) JAK1JAK2AURKAPRKCAKDR
SCHEMBL24188841 0.81 JAK1 (0.79) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2290529 0.81 JAK1 (0.79) JAK1JAK2AURKAPRKCAKDR
SCHEMBL24188718 0.81 JAK1 (0.79) JAK1JAK2AURKAPRKCAKDR
SCHEMBL30622212 0.81 JAK1 (0.79) JAK1JAK2AURKAPRKCAKDR
SCHEMBL13823479 0.80 JAK1 (0.73) JAK1JAK2AURKAPRKCAKDR
Trifluoroacetic Acid SCHEMBL30622151 0.79 JAK1 (0.64) JAK1JAK2AURKAPRKCAKDR
SCHEMBL24188837 0.77 JAK1 (0.87) JAK1JAK2AURKAPRKCAKDR

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-113396150-A Tricyclic JANUS kinase 1 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2021-09-14 CN disclosed