SCHEMBL6220894

SCHEMBL6220894

COCCn1cc(N(C(=O)C=O)c2c(Cl)cncc2Cl)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.46
▸ CNR1 P21554 4/20 0.46
▸ GSK3B P49841 4/20 0.38
▸ CCNB2 O95067 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ PDE4A P27815 3/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ HTR6 P50406 3/20 0.36
▸ REN P00797 3/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL6222086 0.84 PDE4A (0.44) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6222412 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL6223092 0.83 PDE4A (0.46) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6221716 0.83 PDE4A (0.47) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6221877 0.82 PDE4A (0.47) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6222681 0.82 PDE4A (0.37) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6223444 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6224864 0.81 PDE4A (0.57) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6222256 0.80 PDE4A (0.41) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6224573 0.79 PDE4A (0.44) CNR2CNR1PDE4APDE4BPDE4C

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-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
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