SCHEMBL4071121

SCHEMBL4071121

Cc1cc(Cl)ccc1Oc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BRAF P15056 5/20 0.45
MAPT P10636 3/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
GRM8 O00222 1/20 0.44
GRM7 Q14831 1/20 0.44
GRM4 Q14833 1/20 0.44
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL1903709 0.78 MAPT (0.68) CNR1CNR2MEN1KMT2ABRAF
SCHEMBL4064115 0.78 GRM8 (0.52) MEN1KMT2AMAPTGRM8GRM7
SCHEMBL4060811 0.77 GRM8 (0.56) MEN1KMT2AMAPTGRM8GRM7
SCHEMBL4058614 0.77 GRM8 (0.53) GRM8GRM7GRM4NPSR1HTR2C
SCHEMBL4062656 0.77 PNLIP (0.60) KMT2AGRM8GRM7GRM4ALDH1A1
SCHEMBL4061697 0.76 GRM8 (0.55) GRM8GRM7GRM4NPSR1HTR2C
SCHEMBL4067290 0.76 GRM8 (0.53) MEN1KMT2AMAPTGRM8GRM7
SCHEMBL4062244 0.76 PNLIP (0.60) MEN1KMT2AMAPTGRM8GRM7
SCHEMBL4065181 0.75 GRM4 (0.57) MEN1KMT2AGRM8GRM7GRM4
SCHEMBL4069994 0.75 NPC1 (0.54) MEN1KMT2ABRAFMAPTALDH1A1

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed