SCHEMBL28876009

SCHEMBL28876009

C=CC(=O)Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 1.00
JAK3 P52333 7/20 1.00
JAK1 P23458 6/20 1.00
TYK2 P29597 3/20 1.00
EGFR P00533 1/20 0.73
BTK Q06187 5/20 0.71
MAPK8 P45983 1/20 0.61
MAPK10 P53779 1/20 0.61
TTK P33981 1/20 0.61

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
SCHEMBL29813541 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2EGFR
SCHEMBL17071413 0.94 JAK2 (0.88) JAK2JAK3JAK1TYK2EGFR
SCHEMBL28875992 0.90 JAK2 (1.00) JAK2JAK3JAK1TYK2EGFR
SCHEMBL29813742 0.90 JAK2 (1.00) JAK2JAK3JAK1TYK2EGFR
SCHEMBL29813581 0.89 JAK2 (1.00) JAK2JAK3JAK1TYK2EGFR
SCHEMBL28875975 0.89 JAK2 (1.00) JAK2JAK3JAK1TYK2EGFR
SCHEMBL15637731 0.89 JAK2 (0.80) JAK2JAK3JAK1TYK2EGFR
SCHEMBL17071335 0.88 JAK3 (0.79) JAK2JAK3JAK1TYK2EGFR
SCHEMBL17071334 0.88 JAK3 (0.79) JAK2JAK3JAK1TYK2EGFR
SCHEMBL4379023 0.88 JAK2 (0.80) JAK2JAK3JAK1TYK2MAPK8

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