SCHEMBL3466352

SCHEMBL3466352

CCNC(=O)NC1=NC=C(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PDE4D Q08499 1/20 0.35
POLB P06746 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
FBP1 P09467 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13578429 0.80 ABL1 (0.41) ABL1KMT2AMEN1PDE4DPOLB
SCHEMBL3809587 0.77 MEN1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8031130 0.77 MAPK1 (0.42) ABL1KMT2AMEN1PDE4DMAPK1
SCHEMBL3794071 0.76 MAPT (0.44) ABL1LMNASMN1; SMN2L3MBTL1
SCHEMBL11996298 0.75 PDE4D (0.40) ABL1KMT2AMEN1PDE4DPOLB
SCHEMBL4315556 0.74 PDE4D (0.40) ABL1KMT2AMEN1PDE4DPOLB
SCHEMBL3466353 0.73 MAPK1 (0.42) ABL1KMT2AMEN1MAPK1PIK3CA
SCHEMBL3466339 0.73 HCRTR1 (0.39) PDE4DTRPV1
SCHEMBL3467145 0.73 CNR2 (0.41) ABL1PDE4DCNR2LMNA
SCHEMBL13578453 0.72 PDE4D (0.37) ABL1PDE4DPOLBCNR2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed