SCHEMBL28673136

SCHEMBL28673136

C=C(F)C(=O)N1CC(COc2cc(-c3ccc(O)cc3C)cc3[nH]ncc23)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.49
JAK2 O60674 7/20 0.45
JAK1 P23458 7/20 0.45
TYK2 P29597 7/20 0.45
FGFR1 P11362 1/20 0.40
KRAS P01116 1/20 0.34

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
SCHEMBL28672841 0.91 FGFR1 (0.41) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL28680409 0.88 JAK3 (0.45) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL28679732 0.85 JAK3 (0.38) JAK3JAK2JAK1TYK2
SCHEMBL28687000 0.81 JAK3 (0.49) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL28931797 0.81 JAK3 (0.51) JAK3JAK2JAK1TYK2FGFR1
Trifluoroacetic Acid SCHEMBL28686997 0.80 JAK3 (0.47) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL21486164 0.74 JAK3 (0.61) JAK3
SCHEMBL29003379 0.72 JAK3 (0.42) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL28689643 0.72 FGFR1 (0.48) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL20699364 0.70 JAK3 (0.63) JAK3

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-113831326-A Condensed heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2021-12-24 CN disclosed