SCHEMBL7140402

SCHEMBL7140402

O=c1cc2ccc(-c3ccccc3)cc2n[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.44
BACE1 P56817 1/20 0.42
FGFR1 P11362 1/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
DAO P14920 3/20 0.39
JAK2 O60674 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL599844 0.79 PDE3B (0.44) PRMT5FGFR1ATMNPSR1KMT2A
SCHEMBL28756406 0.70 BACE1 (0.57) BACE1FGFR1DYRK3CLK1CLK2
SCHEMBL31014287 0.67 NPSR1 (0.71) PRMT5ATMNPSR1JAK2GAA
SCHEMBL28953289 0.66 PRMT5 (0.49) PRMT5FGFR1ATMNPSR1DYRK3
SCHEMBL28191718 0.65 ESR2 (0.59) BACE1CLK4
SCHEMBL5159013 0.64 PIK3CA (0.59) BACE1ATMMEN1KMT2AGAA
SCHEMBL11396912 0.63 L3MBTL1 (0.58) ATMNPSR1GSK3BCDK5CLK4
SCHEMBL12476626 0.63 PARP1 (0.62) FGFR1
SCHEMBL16107069 0.63 ESR1 (0.73) BACE1FGFR1DYRK3CLK1CLK2
SCHEMBL30304006 0.63 ESR1 (0.73) BACE1FGFR1DYRK3CLK1CLK2

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-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed