SCHEMBL29944949

SCHEMBL29944949

CCn1cc(Nc2nc(NC3CN(C(=O)OCc4ccccc4)CC34CC4)c3c(Cl)c[nH]c3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.55
BTK Q06187 19/20 0.55
EGFR P00533 1/20 0.46

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
SCHEMBL29944802 0.94 JAK3 (0.56) JAK3BTKEGFR
SCHEMBL29773396 0.83 JAK3 (0.72) JAK3BTKEGFR
SCHEMBL29944809 0.82 ENPP2 (0.37) JAK3
SCHEMBL29527874 0.76 JAK3 (0.63) JAK3BTKEGFR
SCHEMBL29944807 0.76 JAK3 (0.56) JAK3BTKEGFR
SCHEMBL29944772 0.76 ENPP2 (0.39) JAK3
SCHEMBL22609896 0.72 JAK3 (0.84) JAK3BTKEGFR
SCHEMBL22496765 0.71 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL22496758 0.71 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL22441068 0.70 JAK3 (1.00) JAK3BTKEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244055-B Pyrimidine five-membered ring derivative and application thereof 江苏先声药业有限公司 2024-09-03 CN disclosed
CN-115244055-A Pyrimido five-membered ring derivative and application thereof 江苏先声药业有限公司 2022-10-25 CN disclosed