SCHEMBL28982136

SCHEMBL28982136

C[C@@H](Oc1cc(Br)cnc1[N+](=O)[O-])c1cc(F)ccc1-c1nccnc1Cn1cnc(C#N)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.32

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
SCHEMBL28982137 1.00 ALK (0.32) ALK
SCHEMBL30295481 1.00 ALK (0.32) ALK
SCHEMBL25624435 0.89 RIPK1 (0.31) ALK
SCHEMBL28982146 0.88 ALK (0.42) ALK
SCHEMBL28982144 0.88 ALK (0.42) ALK
SCHEMBL30295476 0.88 ALK (0.42) ALK
SCHEMBL25624916 0.87
SCHEMBL25624918 0.87 ALK (0.31) ALK
SCHEMBL24006900 0.86 ALK (0.33) ALK
SCHEMBL30227865 0.82 ALK (0.35) ALK

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