SCHEMBL29940758

SCHEMBL29940758

CCc1cc2c(cc1C1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.60
KDR P35968 1/20 0.45
EML4 Q9HC35 1/20 0.45

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
SCHEMBL28913346 1.00 ALK (0.60) ALKKDREML4
SCHEMBL30760744 0.89 ALK (0.54) ALKKDREML4
SCHEMBL27087601 0.87 ALK (0.59) ALKKDREML4
SCHEMBL29940520 0.87 ALK (0.59) ALKKDREML4
SCHEMBL28913313 0.85 ALK (0.56) ALKKDREML4
SCHEMBL29940669 0.85 ALK (0.48) ALK
SCHEMBL27087527 0.85 ALK (0.48) ALK
SCHEMBL27087536 0.84 ALK (0.58) ALKKDREML4
SCHEMBL898251 0.82 ALK (0.79) ALK
SCHEMBL27087607 0.82 ALK (0.52) ALKKDREML4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340523-B Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)股份有限公司 2023-12-15 CN disclosed
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
CN-115340523-A Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)有限公司 2022-11-15 CN disclosed