SCHEMBL5576482

SCHEMBL5576482

CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF3 O95398 1/20 1.00
▸ MEN1 O00255 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ PDE4A P27815 15/20 0.80
▸ PDE4B Q07343 15/20 0.80
▸ PDE4C Q08493 15/20 0.80
▸ PDE4D Q08499 15/20 0.80
▸ PRKACA P17612 2/20 0.80
▸ PRKACG P22612 2/20 0.80
▸ PRKACB P22694 2/20 0.80
▸ BLM P54132 1/20 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
SCHEMBL29381930 1.00 RAPGEF3 (1.00) RAPGEF3MEN1KMT2APDE4APDE4B
SCHEMBL20636603 0.99 RAPGEF3 (0.98) RAPGEF3MEN1KMT2APDE4APDE4B
SCHEMBL21581229 0.91 MEN1 (1.00) RAPGEF3MEN1KMT2APDE4APDE4B
SCHEMBL30145615 0.91 MEN1 (1.00) RAPGEF3MEN1KMT2APDE4APDE4B
SCHEMBL29381357 0.89 PDE4A (1.00) RAPGEF3PDE4APDE4BPDE4CPDE4D
SCHEMBL7521869 0.89 PDE4A (1.00) RAPGEF3PDE4APDE4BPDE4CPDE4D
SCHEMBL7950989 0.89 PDE4A (1.00) RAPGEF3PDE4APDE4BPDE4CPDE4D
SCHEMBL29887763 0.86 PRKACA (0.85) RAPGEF3MEN1KMT2APDE4APDE4B
SCHEMBL17226783 0.83 PDE4A (0.81) RAPGEF3PDE4APDE4BPDE4CPDE4D
SCHEMBL15626148 0.82 RAPGEF3 (0.69) RAPGEF3MEN1KMT2APDE4APDE4B

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
US-8236523-B2 Camp reporters and high throughput assays THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-07 — — US disclosed
US-20070111270-A1 cAMP reporters and high throughput assays THE JOHNS HOPKINS UNIVERSITY (US) 2007-05-17 — — US disclosed
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