SCHEMBL28439360

SCHEMBL28439360

CC(=O)c1ccc(NC(=O)N2CCN(c3nc(Nc4cccc(F)c4N4CCOCC4)ncc3C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.63
▸ FLT3 P36888 5/20 0.63
▸ FGFR4 P22455 2/20 0.51
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ PIK3R1 P27986 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ MTOR P42345 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PANK3 Q9H999 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42

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
SCHEMBL28437348 0.92 JAK2 (0.64) JAK2FLT3FGFR4POLBALDH1A1
SCHEMBL28441098 0.89 JAK2 (0.61) JAK2FLT3FGFR4POLBALDH1A1
SCHEMBL28443652 0.87 JAK2 (0.64) JAK2FLT3FGFR4POLBALDH1A1
SCHEMBL22860801 0.86 JAK2 (0.82) JAK2FLT3POLBALDH1A1MAPT
SCHEMBL28447917 0.84 MAPK9 (0.44) JAK2FLT3FGFR4POLBJAK3
SCHEMBL24426201 0.84 JAK2 (0.64) JAK2FLT3POLBALDH1A1PIK3R1
SCHEMBL28437346 0.81 JAK2 (0.64) JAK2FLT3FGFR4POLBALDH1A1
SCHEMBL29236036 0.79 JAK2 (0.70) JAK2FLT3POLBALDH1A1MAPT
SCHEMBL28435361 0.79 JAK2 (0.63) JAK2FLT3FGFR4POLBALDH1A1
SCHEMBL24426203 0.79 JAK2 (0.63) JAK2FLT3FGFR4JAK3MTOR

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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