SCHEMBL30319809

SCHEMBL30319809

O=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2cc(Br)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 16/20 1.00
▸ GSK3B P49841 16/20 1.00
▸ CDK5 Q00535 12/20 0.82
▸ CDK5R1 Q15078 12/20 0.82
▸ CCNE1 P24864 2/20 0.67
▸ CDK2 P24941 2/20 0.67
▸ CCNB2 O95067 8/20 0.60
▸ CDK1 P06493 8/20 0.60
▸ CCNB1 P14635 8/20 0.60
▸ CCNB3 Q8WWL7 8/20 0.60
▸ DYRK2 Q92630 1/20 0.58
▸ AHR P35869 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ CDK14 O94921 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CDK4 P11802 1/20 0.57
▸ SRC P12931 1/20 0.57
▸ CTRB1 P17538 1/20 0.57
▸ CCNA2 P20248 1/20 0.57
▸ CDK11B P21127 1/20 0.57

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
SCHEMBL30319807 0.90 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL29975793 0.90 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL29364210 0.83 GSK3A (0.71) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL30273058 0.80 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL30597679 0.75 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL30094663 0.75 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL30597674 0.75 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL29421607 0.73 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL30597663 0.72 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL30597665 0.72 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNE1

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
EP-4438734-A2 REPROGRAMMING OF CELLS TO A NEW FATE The Scripps Research Institute (US) 2024-10-02 — — EP disclosed
EP-3399026-B1 REPROGRAMMING OF CELLS TO A NEW FATE SCRIPPS RESEARCH INST (US) 2024-06-26 — — EP 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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