SCHEMBL30227983

SCHEMBL30227983

CC(Oc1cc(Br)cnc1N)c1cc(F)ccc1-c1c(Cn2cnc(C#N)c2)cnn1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.43
JAK2 O60674 9/20 0.39
MET P08581 1/20 0.36

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
SCHEMBL28998897 1.00 ALK (0.43) ALKJAK2MET
SCHEMBL28998898 0.89 ALK (0.42) ALKJAK2
SCHEMBL30228080 0.89 ALK (0.42) ALKJAK2
SCHEMBL28998928 0.89 JAK2 (0.41) ALKJAK2MET
SCHEMBL30228054 0.85 JAK2 (0.43) ALKJAK2
SCHEMBL25108492 0.84 ALK (0.37) ALKJAK2
SCHEMBL28982146 0.83 ALK (0.42) ALKJAK2MET
SCHEMBL28982144 0.83 ALK (0.42) ALKJAK2MET
SCHEMBL30295476 0.83 ALK (0.42) ALKJAK2MET
SCHEMBL30295428 0.83 ALK (0.42) ALKJAK2MET

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-115916196-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed
EP-4146205-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2023-03-15 EP disclosed