SCHEMBL8330960

SCHEMBL8330960

CCC(C#Cc1ncccn1)c1cccc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL953306 0.73 CES2 (0.37) CES2CES1
SCHEMBL12188919 0.67 CES2 (0.42) CES2CES1
SCHEMBL21259631 0.66 TSHR (0.50) CES2CES1
SCHEMBL18533077 0.66 TSHR (0.50) CES2CES1
SCHEMBL8234468 0.64 CES2 (0.40) CES2CES1
SCHEMBL8879212 0.64 CES2 (0.43) CES2CES1
SCHEMBL15302972 0.64 CES2 (0.40) CES2CES1
SCHEMBL954835 0.64 CES2 (0.47) CES2CES1
SCHEMBL30682759 0.64 CFD (0.42) CES2CES1
SCHEMBL30682599 0.64 CFD (0.42) CES2CES1

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
WO-1996030344-A9 PYRIMIDINE COMPOUNDS 1999-02-11 WO disclosed
EP-0817773-A2 PYRIMIDINE COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-01-14 EP disclosed