SCHEMBL14050894

SCHEMBL14050894

Cc1cc(C2CCCCN2C(=O)OCc2ccccc2)nc2ccnn12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.48
▸ TMEM97 Q5BJF2 7/20 0.48
▸ SIGMAR1 Q99720 7/20 0.48
▸ GFER P55789 1/20 0.42
▸ PREP P48147 2/20 0.42
▸ FKBP1A P62942 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL12953879 0.90 SIGMAR1 (0.49) AADATTMEM97SIGMAR1GFERPREP
SCHEMBL12952997 0.89 SIGMAR1 (0.48) AADATTMEM97SIGMAR1PREP
SCHEMBL14050890 0.81 BCL9 (0.46) NPSR1MEN1KMT2A
SCHEMBL221048 0.81 AADAT (0.48) AADATTMEM97SIGMAR1GFERPREP
SCHEMBL28716810 0.80 TMEM97 (0.50) AADATTMEM97SIGMAR1GFERPREP
SCHEMBL15957792 0.79 SIGMAR1 (0.49) AADATTMEM97SIGMAR1GFER
SCHEMBL222644 0.79 AADAT (0.48) AADATTMEM97SIGMAR1GFERFKBP1A
SCHEMBL15513225 0.79 AADAT (0.48) AADATTMEM97SIGMAR1GFERFKBP1A
SCHEMBL15958257 0.77 AADAT (0.48) AADATTMEM97SIGMAR1GFERPREP
SCHEMBL15503355 0.77 AADAT (0.47) AADATTMEM97SIGMAR1GFERFKBP1A

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
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
Send feedback