SCHEMBL24653307

SCHEMBL24653307

O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(O)C3CC3(F)F)C4)n2n1)C1CC1(F)F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.68
JAK1 P23458 20/20 0.68
TYK2 P29597 20/20 0.68
JAK3 P52333 11/20 0.68
CYP2C19 P33261 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP1A2 P05177 1/20 0.59

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
SCHEMBL24653286 1.00 JAK2 (0.68) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL23424244 0.93 JAK2 (0.73) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757106 0.86 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757020 0.86 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL23584394 0.86 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757002 0.86 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757170 0.85 JAK2 (0.83) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757015 0.85 JAK2 (0.83) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757058 0.85 JAK2 (0.83) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL23424241 0.84 JAK2 (0.69) JAK2JAK1TYK2JAK3CYP2C19

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-2022161205-A1 ORAL PREPARATION CONTAINING JAK INHIBITOR OR SALT THEREOF OR CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2022-08-04 WO disclosed