SCHEMBL28441106

SCHEMBL28441106

COc1cc(Nc2ncc(C)c(N3CCN(C(=O)Nc4ccc(C(C)=O)cc4)CC3)n2)ccc1C1CNCCO1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.49
▸ FLT3 P36888 4/20 0.49
▸ JAK1 P23458 5/20 0.44
▸ TYK2 P29597 5/20 0.44
▸ FGFR4 P22455 2/20 0.42
▸ JAK3 P52333 4/20 0.41
▸ PDGFRB P09619 2/20 0.39
▸ BMPR2 Q13873 1/20 0.39

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
SCHEMBL28439357 0.90 JAK2 (0.51) JAK2FLT3
SCHEMBL28437347 0.90 JAK2 (0.50) JAK2FLT3JAK1TYK2FGFR4
SCHEMBL28443651 0.87 JAK2 (0.56) JAK2FLT3
SCHEMBL24426203 0.81 JAK2 (0.63) JAK2FLT3JAK1TYK2FGFR4
SCHEMBL28435360 0.79 JAK2 (0.56) JAK2FLT3
SCHEMBL28437334 0.79 JAK2 (0.42) JAK2JAK1TYK2FGFR4JAK3
SCHEMBL28442721 0.78 FGFR4 (0.58) FGFR4
SCHEMBL28447915 0.78 JAK2 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL28443296 0.78 JAK2 (0.54) JAK2FLT3JAK3
SCHEMBL28441098 0.77 JAK2 (0.61) JAK2FLT3FGFR4

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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