SCHEMBL31060440

SCHEMBL31060440

CC(=O)O/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKC Q9UQB9 5/20 1.00
▸ AURKB Q96GD4 4/20 1.00
▸ AURKA O14965 3/20 1.00
▸ GSK3A P49840 16/20 0.79
▸ GSK3B P49841 16/20 0.79
▸ CDK5 Q00535 10/20 0.73
▸ CDK5R1 Q15078 10/20 0.73
▸ CCNB2 O95067 8/20 0.73
▸ CDK1 P06493 8/20 0.73
▸ CCNB1 P14635 8/20 0.73
▸ CCNB3 Q8WWL7 8/20 0.73
▸ AHR P35869 3/20 0.68

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
SCHEMBL31061457 0.88 GSK3A (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL30319811 0.84 GSK3B (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL31060593 0.84 GSK3B (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL29447183 0.81 CDK1 (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL29359170 0.81 CDK1 (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL30319805 0.79 GSK3A (0.76) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL30597678 0.77 GSK3A (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL30597656 0.71 GSK3B (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL30319832 0.68 CDK1 (1.00) AURKCAURKBAURKAGSK3AGSK3B
SCHEMBL30319763 0.67 GSK3A (1.00) AURKCAURKBAURKAGSK3AGSK3B

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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