SCHEMBL30142949

SCHEMBL30142949

C[C@@H](Oc1cc(-c2cccnc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 1.00
MET P08581 13/20 0.81
ALK Q9UM73 3/20 0.66

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
SCHEMBL21478982 1.00 JAK2 (1.00) JAK2METALK
SCHEMBL21478593 1.00 JAK2 (1.00) JAK2METALK
SCHEMBL30453123 0.94 JAK2 (0.88) JAK2METALK
SCHEMBL488360 0.94 JAK2 (0.88) JAK2METALK
SCHEMBL488269 0.89 MET (1.00) JAK2METALK
SCHEMBL30453779 0.89 MET (1.00) JAK2METALK
SCHEMBL5255394 0.89 JAK2 (0.79) JAK2METALK
SCHEMBL30453067 0.88 MET (0.84) JAK2METALK
SCHEMBL488641 0.88 MET (0.84) JAK2METALK
SCHEMBL488237 0.88 MET (0.84) JAK2METALK

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 1 patent. 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