SCHEMBL13963463

SCHEMBL13963463

CC(C)C(N)c1nn(C)c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL4490611 0.85 ROCK2 (0.53) HPGDCYP3A4GSK3AGSK3BCCNB2
SCHEMBL4499726 0.81 ROCK2 (0.42) HPGDCYP3A4ROCK2
SCHEMBL14563447 0.76 ALDH1A1 (0.47) HPGDCYP3A4GSK3AGSK3BCCNB2
SCHEMBL4050365 0.76 HPGD (0.43) HPGDCYP3A4MAPTPDE1BKMT2A
SCHEMBL4050872 0.76 HPGD (0.43) HPGDCYP3A4MAPTPDE1BKMT2A
SCHEMBL4051429 0.76 HPGD (0.43) HPGDCYP3A4MAPTPDE1BKMT2A
SCHEMBL14408874 0.75 KDM4E (0.47) HPGDCYP3A4GSK3AGSK3BMAPT
SCHEMBL4367588 0.74 TLR7 (0.46) HPGDMAPTKMT2ABRD4TDP1
SCHEMBL13956768 0.74 TLR7 (0.46) HPGDCYP3A4MAPTKMT2ATDP1
SCHEMBL4365755 0.74 TLR7 (0.46) HPGDMAPTKMT2ABRD4TDP1

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-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 — — US disclosed
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 — — US disclosed
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