SCHEMBL28980973

SCHEMBL28980973

C=CC(=O)Nc1ccc(Nc2nc(Nc3ccccc3N3CCN(C)CC3)ncc2Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 6/20 0.70
MAP2K1 Q02750 5/20 0.70
SRC P12931 3/20 0.70
MAPK1 P28482 3/20 0.70
FGFR1 P11362 1/20 0.70
JAK3 P52333 5/20 0.62
FLT3 P36888 1/20 0.61
EGFR P00533 6/20 0.59
ALK Q9UM73 2/20 0.59
BTK Q06187 1/20 0.56
MAPK3 P27361 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
SCHEMBL31684776 1.00 MAP3K7 (0.70) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL28980982 0.88 MAP3K7 (0.80) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL31684777 0.88 MAP3K7 (0.80) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL28980996 0.87 JAK3 (0.71) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL31684746 0.87 JAK3 (0.71) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL28980998 0.86 MAP3K7 (0.73) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL31684766 0.86 MAP3K7 (0.73) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL31684785 0.85 MAP3K7 (0.66) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL28980978 0.85 MAP3K7 (0.66) MAP3K7MAP2K1SRCMAPK1FGFR1
SCHEMBL31684756 0.85 CCND3 (0.69) MAP3K7MAP2K1SRCMAPK1FGFR1

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