SCHEMBL28982146

SCHEMBL28982146

CC(Oc1cc(Br)cnc1N)c1cc(F)ccc1-c1nccnc1Cn1cnc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.42
JAK2 O60674 12/20 0.40
MET P08581 1/20 0.37

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
SCHEMBL30295476 1.00 ALK (0.42) ALKJAK2MET
SCHEMBL28982144 1.00 ALK (0.42) ALKJAK2MET
SCHEMBL24006900 0.89 ALK (0.33) ALKJAK2
SCHEMBL28982136 0.88 ALK (0.32) ALK
SCHEMBL30295481 0.88 ALK (0.32) ALK
SCHEMBL28982137 0.88 ALK (0.32) ALK
SCHEMBL30295428 0.87 ALK (0.42) ALKJAK2MET
SCHEMBL28998897 0.83 ALK (0.43) ALKJAK2MET
SCHEMBL30227983 0.83 ALK (0.43) ALKJAK2MET
SCHEMBL30242757 0.81 ALK (0.47) ALKJAK2

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-115916754-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed