SCHEMBL31060593

SCHEMBL31060593

CC(=O)O/N=C1\C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 1.00
▸ GSK3A P49840 13/20 1.00
▸ CDK5 Q00535 12/20 1.00
▸ CDK5R1 Q15078 12/20 1.00
▸ CDK1 P06493 11/20 1.00
▸ CCNB1 P14635 11/20 1.00
▸ CCNB2 O95067 10/20 1.00
▸ CCNB3 Q8WWL7 10/20 1.00
▸ AURKC Q9UQB9 6/20 1.00
▸ AURKB Q96GD4 5/20 1.00
▸ AURKA O14965 4/20 1.00
▸ AHR P35869 1/20 0.78
▸ CCNA2 P20248 3/20 0.66
▸ CDK2 P24941 3/20 0.66
▸ CCND3 P30281 3/20 0.66
▸ CDK6 Q00534 3/20 0.66
▸ CDK4 P11802 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ SRC P12931 1/20 0.63
▸ CCNE1 P24864 1/20 0.63

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
SCHEMBL30319811 1.00 GSK3B (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL30597678 0.88 GSK3A (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL29447183 0.88 CDK1 (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL29359170 0.88 CDK1 (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL30597656 0.86 GSK3B (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL31061457 0.84 GSK3A (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL31060440 0.84 AURKC (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL29421607 0.76 GSK3A (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL30044685 0.75 CDK2 (1.00) GSK3BGSK3ACDK5CDK5R1CDK1
SCHEMBL29726933 0.75 CDK2 (1.00) GSK3BGSK3ACDK5CDK5R1CDK1

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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