SCHEMBL28998928

SCHEMBL28998928

[CH2]c1cn(Cc2cnn(C)c2-c2ccc(F)cc2C(C)Oc2cc(Br)cnc2N)cn1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.41
ALK Q9UM73 9/20 0.40
MET P08581 1/20 0.38

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
SCHEMBL30227983 0.89 ALK (0.43) JAK2ALKMET
SCHEMBL28998897 0.89 ALK (0.43) JAK2ALKMET
SCHEMBL30228054 0.87 JAK2 (0.43) JAK2ALK
SCHEMBL30228080 0.78 ALK (0.42) JAK2ALK
SCHEMBL28998898 0.78 ALK (0.42) JAK2ALK
SCHEMBL25108492 0.72 ALK (0.37) JAK2ALK
SCHEMBL30295525 0.71 JAK2 (0.41) JAK2ALKMET
SCHEMBL28578935 0.71 JAK2 (0.53) JAK2ALKMET
SCHEMBL30833549 0.71 JAK2 (0.53) JAK2ALKMET
SCHEMBL25109202 0.70 JAK2 (0.34) JAK2ALK

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-115916196-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed