SCHEMBL29508102

SCHEMBL29508102

C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.63
▸ JAK2 O60674 3/20 0.55
▸ JAK1 P23458 3/20 0.55
▸ TTK P33981 2/20 0.55
▸ MAP3K7 O43318 5/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAP2K1 Q02750 2/20 0.53
▸ BTK Q06187 2/20 0.50
▸ EGFR P00533 5/20 0.49
▸ AXL P30530 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ MERTK Q12866 1/20 0.46
▸ FGFR1 P11362 3/20 0.46
▸ SRC P12931 3/20 0.46
▸ ITK Q08881 1/20 0.46
▸ TYK2 P29597 1/20 0.45

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
SCHEMBL24388347 1.00 JAK3 (0.63) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388371 0.96 JAK3 (0.60) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29508048 0.96 JAK3 (0.60) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29507995 0.94 JAK3 (0.60) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388533 0.94 JAK3 (0.60) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24392846 0.94 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29537472 0.94 JAK3 (0.61) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL29537613 0.93 JAK3 (0.60) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24392741 0.93 JAK3 (0.60) JAK3JAK2JAK1TTKMAP3K7
SCHEMBL24388530 0.93 JAK3 (0.57) 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
EP-4237088-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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