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SCHEMBL18927849

SCHEMBL18927849

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Sc2ccccc2)N2C1=NC1CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 1.00
▸ PDE1A P54750 2/20 0.83
▸ PDE1B Q01064 2/20 0.82
▸ PDE2A O00408 1/20 0.69
▸ PDE8A O60658 1/20 0.69
▸ PDE5A O76074 1/20 0.69
▸ PDE9A O76083 1/20 0.69
▸ PDE4B Q07343 1/20 0.69
▸ PDE4C Q08493 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3B Q13370 1/20 0.69
▸ PDE11A Q9HCR9 1/20 0.69
▸ PDE7B Q9NP56 1/20 0.69
▸ PDE10A Q9Y233 1/20 0.69

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
SCHEMBL2507601 1.00 PDE4A (1.00) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL12198193 0.92 PDE4A (0.85) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL14243117 0.91 PDE1A (1.00) PDE4APDE1APDE1B
SCHEMBL2472569 0.91 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL18928137 0.91 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL14243419 0.90 PDE1A (1.00) PDE4APDE1APDE1B
SCHEMBL12198217 0.90 PDE4A (0.82) PDE4APDE1APDE1B
SCHEMBL12198174 0.89 PDE4A (0.80) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL14243423 0.88 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL29790189 0.88 PDE4A (0.85) PDE4APDE1APDE1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367429-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-06-07 — — EP disclosed
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