SCHEMBL30009067

SCHEMBL30009067

C[Si](C)(C)C#Cc1ccc2c3c([nH]c2c1)Cc1ccc(C#N)cc1C3=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.46
FLT3 P36888 6/20 0.44

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
SCHEMBL30009089 0.86 FLT3 (0.36) ALKFLT3
SCHEMBL29818492 0.80 FLT3 (0.47) ALKFLT3
SCHEMBL15821395 0.80 FLT3 (0.47) ALKFLT3
SCHEMBL30009136 0.78 MAPK10 (0.41) ALKFLT3
SCHEMBL22369334 0.71 ALK (0.39) ALKFLT3
SCHEMBL17781319 0.70 MALT1 (0.43) ALKFLT3
SCHEMBL27087568 0.68 ALK (0.67) ALK
SCHEMBL28432098 0.66 CASP3 (0.46)
SCHEMBL6577996 0.65 CA12 (0.45)
SCHEMBL27087565 0.64 ALK (0.62) 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
WO-2022237813-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 盛世泰科生物医药技术(苏州)有限公司 2022-11-17 WO disclosed