SCHEMBL28443652

SCHEMBL28443652

CC(=O)c1ccc(NC(=O)N2CCN(c3nc(Nc4ccccc4N4CCOCC4)ncc3C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.64
▸ FLT3 P36888 5/20 0.64
▸ FGFR4 P22455 2/20 0.56
▸ PIK3R1 P27986 2/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ MTOR P42345 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ JAK3 P52333 1/20 0.45
▸ GOT1 P17174 1/20 0.45
▸ ROS1 P08922 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL28435361 0.91 JAK2 (0.63) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL28443297 0.89 JAK2 (0.60) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL28442722 0.89 FGFR4 (0.71) JAK2FLT3FGFR4JAK3GOT1
SCHEMBL28443648 0.88 JAK2 (0.60) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL28437346 0.88 JAK2 (0.64) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL28437348 0.88 JAK2 (0.64) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL28439360 0.87 JAK2 (0.63) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL22860801 0.87 JAK2 (0.82) JAK2FLT3MAPTALDH1A1JAK3
SCHEMBL28440872 0.87 JAK2 (0.48) JAK2FLT3FGFR4PIK3R1PIK3CA
SCHEMBL28434562 0.87 JAK2 (0.52) JAK2FLT3FGFR4MAPTALDH1A1

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-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN disclosed
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN disclosed
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