SCHEMBL28980996

SCHEMBL28980996

C=CC(=O)Nc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)ncc2Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.71
MAP3K7 O43318 5/20 0.64
MAP2K1 Q02750 4/20 0.64
MAPK1 P28482 2/20 0.64
SRC P12931 2/20 0.64
FGFR1 P11362 1/20 0.64
BRD4 O60885 4/20 0.64
EGFR P00533 4/20 0.61
BTK Q06187 1/20 0.57
FLT3 P36888 1/20 0.56
JAK1 P23458 2/20 0.56
BRDT Q58F21 1/20 0.56

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
SCHEMBL31684746 1.00 JAK3 (0.71) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL31684777 0.89 MAP3K7 (0.80) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL28980982 0.89 MAP3K7 (0.80) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL28980973 0.87 MAP3K7 (0.70) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL31684776 0.87 MAP3K7 (0.70) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL28980980 0.87 JAK3 (0.61) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL31684785 0.86 MAP3K7 (0.66) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL28980978 0.86 MAP3K7 (0.66) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL31684766 0.86 MAP3K7 (0.73) JAK3MAP3K7MAP2K1MAPK1SRC
SCHEMBL28980998 0.86 MAP3K7 (0.73) JAK3MAP3K7MAP2K1MAPK1SRC

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-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN disclosed