SCHEMBL23679709

SCHEMBL23679709

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(P)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCCC[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.81
▸ PDE2A O00408 4/20 0.77
▸ PDE8A O60658 4/20 0.77
▸ PDE5A O76074 4/20 0.77
▸ PDE3B Q13370 4/20 0.77
▸ PDE11A Q9HCR9 4/20 0.77
▸ PDE7B Q9NP56 4/20 0.77
▸ PDE10A Q9Y233 4/20 0.77
▸ PDE9A O76083 3/20 0.77
▸ PDE1B Q01064 1/20 0.76
▸ PDE4B Q07343 1/20 0.76
▸ PDE4C Q08493 1/20 0.76
▸ PDE4D Q08499 1/20 0.76

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
SCHEMBL19217069 0.91 PDE4A (0.81) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL20341393 0.91 PDE4A (0.97) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL18380631 0.90 PDE4A (0.85) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL16324627 0.90 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL21182694 0.90 PDE4A (0.84) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL17508454 0.90 PDE4A (0.84) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL18771113 0.90 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL18211963 0.90 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL29415040 0.90 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL10201342 0.90 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B

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-3010509-B1 FREE BASE CRYSTALS INTRA CELLULAR THERAPIES INC (US) 2021-07-28 — — EP disclosed
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