SCHEMBL4719220

SCHEMBL4719220

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCCN3)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
SOS1 Q07889 2/20 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
SCHEMBL4720122 1.00 P2RX7 (0.34) P2RX7PDE3BPDE3ASOS1
SCHEMBL4719218 1.00 P2RX7 (0.34) P2RX7PDE3BPDE3ASOS1
SCHEMBL4720289 0.91 P2RX7 (0.36) P2RX7PDE3BPDE3ASOS1
SCHEMBL4720292 0.91 P2RX7 (0.36) P2RX7PDE3BPDE3ASOS1
SCHEMBL14101707 0.91 PARP1 (0.33)
SCHEMBL4723736 0.90 PDE3B (0.34) P2RX7PDE3BPDE3ASOS1
SCHEMBL4723849 0.90 PDE3B (0.34) P2RX7PDE3BPDE3ASOS1
SCHEMBL4723851 0.90 PDE3B (0.34) P2RX7PDE3BPDE3ASOS1
SCHEMBL4723739 0.90 PDE3B (0.34) P2RX7PDE3BPDE3ASOS1
SCHEMBL4722961 0.88 P2RX7 (0.38) P2RX7PDE3BPDE3ASOS1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed