SCHEMBL23766367

SCHEMBL23766367

O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(O)CC(F)(F)F)C4)n2n1)C1CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.74
JAK1 P23458 20/20 0.74
TYK2 P29597 20/20 0.74
JAK3 P52333 9/20 0.73
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 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
SCHEMBL24743158 0.92 JAK2 (0.75) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757057 0.85 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL23424244 0.84 JAK2 (0.73) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21756994 0.84 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757004 0.81 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757054 0.81 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757032 0.81 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21756993 0.80 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757169 0.80 JAK2 (0.71) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757111 0.79 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9

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-2021159372-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES 珠海联邦制药股份有限公司 2021-08-19 WO disclosed