SCHEMBL24388613

SCHEMBL24388613

C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2cnc(Cl)c(C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.59
▸ JAK2 O60674 3/20 0.54
▸ JAK1 P23458 3/20 0.54
▸ TTK P33981 2/20 0.54
▸ MAP3K7 O43318 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ BTK Q06187 3/20 0.48
▸ TYK2 P29597 1/20 0.45
▸ EGFR P00533 3/20 0.44
▸ BMX P51813 1/20 0.44
▸ ITK Q08881 1/20 0.44

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
SCHEMBL29508132 1.00 JAK3 (0.59) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388546 0.94 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29507968 0.94 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29508058 0.93 JAK3 (0.62) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388564 0.93 JAK3 (0.62) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388517 0.91 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29508108 0.91 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29537509 0.91 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24392719 0.91 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388347 0.91 JAK3 (0.63) JAK3JAK2JAK1TTKMAP3K7

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-116710444-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-05 — — CN disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
Send feedback