SCHEMBL28515206

SCHEMBL28515206

Nc1ncc(-c2cccnc2)cc1OCCc1c(Cl)ccc(F)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.62
MET P08581 10/20 0.48
MAP4K3 Q8IVH8 1/20 0.46
ELOVL1 Q9BW60 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
EPHB4 P54760 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL487842 0.85 JAK2 (0.60) JAK2METMAP4K3CYP11B1CYP11B2
SCHEMBL30453168 0.85 JAK2 (0.60) JAK2METMAP4K3CYP11B1CYP11B2
SCHEMBL28036128 0.84 JAK2 (0.47) JAK2METMAP4K3
SCHEMBL28035735 0.82 JAK2 (0.47) JAK2METMAP4K3
SCHEMBL28924806 0.81 JAK2 (0.44) JAK2METMAP4K3
SCHEMBL3687014 0.81 MET (0.48) JAK2METMAP4K3
SCHEMBL28643808 0.80 MET (0.47) JAK2METMAP4K3
SCHEMBL28518564 0.80 JAK2 (0.51) JAK2METMAP4K3EPHB4
SCHEMBL14812299 0.80 MET (0.54) JAK2METMAP4K3
SCHEMBL1823431 0.79 MET (0.57) JAK2METMAP4K3

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-112119070-B Selective JAK2 inhibitors and uses thereof 华东理工大学 2023-02-17 CN disclosed
CN-112119070-A Selective JAK2 inhibitor and application thereof 华东理工大学 2020-12-22 CN disclosed