SCHEMBL30319828

SCHEMBL30319828

O=Nc1c(-c2c(O)[nH]c3ccc(Br)cc23)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5R1 Q15078 16/20 1.00
▸ GSK3B P49841 15/20 1.00
▸ CDK5 Q00535 15/20 1.00
▸ GSK3A P49840 12/20 1.00
▸ ALOX5 P09917 4/20 1.00
▸ CDK1 P06493 13/20 0.83
▸ CCNB1 P14635 11/20 0.83
▸ CCNB2 O95067 10/20 0.83
▸ CCNB3 Q8WWL7 10/20 0.83
▸ MEN1 O00255 2/20 0.83
▸ NPC1 O15118 2/20 0.83
▸ USP2 O75604 2/20 0.83
▸ LMNA P02545 2/20 0.83
▸ TP53 P04637 2/20 0.83
▸ CYP3A4 P08684 2/20 0.83
▸ MAPT P10636 2/20 0.83
▸ PKM P14618 2/20 0.83
▸ NFKB1 P19838 2/20 0.83
▸ MAPK1 P28482 2/20 0.83
▸ THPO P40225 2/20 0.83

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
SCHEMBL29361130 0.91 GSK3B (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
Indirubin-3-Monoxime SCHEMBL29354191 0.86 CDK5R1 (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL30319818 0.84 GSK3B (0.83) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL29484209 0.84 GSK3B (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL30141665 0.81 CDK5R1 (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL30309734 0.80 CDK5R1 (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL30278941 0.79 GSK3B (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL30295559 0.76 CDK1 (1.00) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL29924508 0.75 GSK3B (0.72) CDK5R1GSK3BCDK5GSK3AALOX5
SCHEMBL24487439 0.69 ALOX5 (0.53) CDK5R1GSK3BCDK5GSK3AALOX5

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
CN-112334131-B Pharmaceutical composition comprising indirubin derivative as active ingredient CK生物技术公司 2024-04-05 — — CN disclosed
CN-115969814-A Novel pharmaceutical formulations containing indirubin and derivatives thereof and methods of making and using the same 法斯瑞斯公司 2023-04-18 — — CN disclosed
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