SCHEMBL8246751

SCHEMBL8246751

CC(C)(C)Nc1cncc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TDO2 P48775 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.33
BRAF P15056 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
RIPK1 Q13546 1/20 0.32
LATS1 O95835 2/20 0.32
LATS2 Q9NRM7 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL27806740 0.79 GRM4 (0.39) GRM4HCAR2TDO2LMNACHRNB2
SCHEMBL21571870 0.77 SLC22A12 (0.42) GRM4HCAR2CYP2C9BRAFNPC1
SCHEMBL7958561 0.76
SCHEMBL8237552 0.75 PIK3CA (0.35) GRM4HCAR2LATS1LATS2ALDH1A1
SCHEMBL25124433 0.75 EGFR (0.38) GRM4HCAR2TDO2LMNACHRNB2
SCHEMBL8247975 0.75 FDPS (0.47) LMNASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL21571867 0.72 SLC22A12 (0.46) CYP2C9BRAFCHRNB2CHRNA4ALDH1A1
SCHEMBL14993767 0.71
SCHEMBL12368483 0.71 IDH1 (0.39) GRM4HCAR2TDO2LMNACHRNB2
SCHEMBL8244430 0.71 SCN10A (0.37) CHRNB2CHRNA4

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-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed