SCHEMBL29813623

SCHEMBL29813623

C=CC(=O)Nc1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 1.00
JAK1 P23458 16/20 1.00
JAK2 O60674 11/20 1.00
TYK2 P29597 2/20 0.67
EGFR P00533 1/20 0.54
BTK Q06187 1/20 0.52

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
SCHEMBL28876022 1.00 JAK3 (1.00) JAK3JAK1JAK2TYK2EGFR
SCHEMBL29813686 0.91 JAK3 (1.00) JAK3JAK1JAK2TYK2EGFR
SCHEMBL28875990 0.91 JAK3 (1.00) JAK3JAK1JAK2TYK2EGFR
SCHEMBL28876008 0.88 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL29813733 0.88 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL28876026 0.86 JAK3 (0.75) JAK3JAK1JAK2TYK2EGFR
Morpholine SCHEMBL28329002 0.82 JAK3 (0.70) JAK3JAK1JAK2TYK2EGFR
SCHEMBL28875992 0.80 JAK2 (1.00) JAK3JAK1JAK2TYK2EGFR
SCHEMBL29813742 0.80 JAK2 (1.00) JAK3JAK1JAK2TYK2EGFR
SCHEMBL28875984 0.79 JAK3 (1.00) JAK3JAK1JAK2TYK2

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-110330484-B Substituted phenyl pyrimidine derivative as JAK kinase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2022-08-26 CN disclosed