SCHEMBL29940496

SCHEMBL29940496

CCc1cc2c(cc1OS(=O)(=O)C(F)(F)F)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.53
SRPK1 Q96SB4 4/20 0.47
SRPK2 P78362 3/20 0.46
DYRK3 O43781 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
SRPK3 Q9UPE1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
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
SCHEMBL27087513 1.00 ALK (0.53) ALKSRPK1SRPK2DYRK3CLK1
SCHEMBL7812557 0.89 SRPK1 (0.47) ALKSRPK1SRPK2DYRK3CLK1
SCHEMBL27087556 0.88 ALK (0.56) ALK
SCHEMBL29940536 0.88 ALK (0.56) ALK
SCHEMBL898305 0.86 SRPK1 (0.65) ALKSRPK1SRPK2DYRK3CLK1
SCHEMBL29940408 0.85 ALK (0.53) ALK
SCHEMBL27087583 0.85 ALK (0.53) ALK
SCHEMBL27087579 0.85 ALK (0.64) ALKSRPK1SRPK2EML4
SCHEMBL20366631 0.85 SRPK1 (0.44) ALKSRPK1SRPK2DYRK3CLK1
SCHEMBL7805478 0.81 ALK (0.43) ALKSRPK1SRPK2DYRK3CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4321514-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF CGeneTech (Suzhou, China) Co., Ltd. (CN) 2024-02-14 EP disclosed
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