SCHEMBL27722297

SCHEMBL27722297

CCc1n[nH]c2cc(C(C)C=O)ccc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ GSK3B P49841 4/20 0.31
▸ ITK Q08881 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL25022905 0.83 KIF11 (0.44) PDE3BPDE3AGSK3BJAK2PRMT5
SCHEMBL27722296 0.80 MAPK1 (0.37) GSK3BITKMAPK1JAK2JAK1
SCHEMBL15651827 0.76 TTK (0.49) PDE3BPDE3AGSK3BJAK2JAK1
SCHEMBL29957557 0.76 TTK (0.49) PDE3BPDE3AGSK3BJAK2JAK1
SCHEMBL130781 0.72 ITK (0.47) PDE3BPDE3AITKMAPK1
SCHEMBL10189221 0.72 KIF11 (0.47) PDE3BPDE3AGSK3BPRMT5WDR77
SCHEMBL17828603 0.71 HTR1D (0.41) GSK3BPRMT5WDR77
SCHEMBL5790250 0.70 PDE3B (0.36) PDE3BPDE3AGSK3BJAK2JAK1
SCHEMBL11388 0.70 PDPK1 (0.58) PDE3BPDE3AGSK3BJAK2PRMT5
SCHEMBL16095565 0.70 AXL (0.50) PDE3BPDE3AGSK3BJAK2

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
CN-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 — — CN disclosed
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