SCHEMBL2299234

SCHEMBL2299234

O=C1CC2(CCC2)Cc2nc(C3=CCOCC3)c(C(=O)O)c(O)c21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
CDK19 Q9BWU1 1/20 0.31

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
SCHEMBL662748 0.86 CYP1A2 (0.36)
SCHEMBL2299690 0.75 CYP11B2 (0.34)
SCHEMBL2303992 0.75 PIK3CD (0.30)
SCHEMBL662952 0.73 CYP1A2 (0.48)
SCHEMBL16363084 0.67 GCGR (0.32)
SCHEMBL19594151 0.63
SCHEMBL661613 0.62 CYP1A2 (0.43)
SCHEMBL663100 0.59 CYP1A2 (0.43)
SCHEMBL16363097 0.59 CYP1A2 (0.34) CCNCCDK8HASPINCDK19
SCHEMBL420951 0.57 IKBKE (0.44)

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
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed