SCHEMBL5777381

SCHEMBL5777381

COc1ccc(-c2ccccc2)c2nc(NC(=O)c3cccc(C)c3)nn12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RORC P51449 1/20 0.43
KCNK3 O14649 4/20 0.43
KCNK9 Q9NPC2 4/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 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
SCHEMBL5775847 0.90 RAB9A (0.52) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL6646981 0.89 KDM4E (0.47) GRM5MEN1KMT2AKCNK3POLB
SCHEMBL6647054 0.89 TDP2 (0.52) GRM5POLBMAPTKDM4EHPGD
SCHEMBL5770812 0.84 MAPT (0.48) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL5774131 0.84 LMNA (0.53) GRM5KMT2AMAPTKDM4EALDH1A1
SCHEMBL5771367 0.82 KDM4E (0.47) GRM5MAPTKDM4E
SCHEMBL5774953 0.78 LMNA (0.46) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL5774009 0.78 JAK2 (0.48) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL5776616 0.78 MAPT (0.45) POLBMAPTKDM4EALDH1A1
SCHEMBL6743436 0.74 LMNA (0.44) KMT2AMAPTKDM4EALDH1A1GAA

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-1436292-B1 5-METHOXY-8-ARYL-¬1,2,4|TRIAZOLO¬1,5-A|PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-08-30 EP disclosed
US-6693116-B2 8-PHENYL-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2004-02-17 US disclosed