SCHEMBL5771367

SCHEMBL5771367

COc1ccc(-c2ccccc2)c2nc(NC(=O)c3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ABCG2 Q9UNQ0 10/20 0.44
ABCB1 P08183 2/20 0.44
GRM5 P41594 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5774131 0.90 LMNA (0.53) KDM4EMAPTGRM5JAK2JAK3
SCHEMBL5770812 0.88 MAPT (0.48) KDM4EMAPTJAK2JAK3LMNA
SCHEMBL5774953 0.84 LMNA (0.46) KDM4EMAPTJAK2JAK3LMNA
SCHEMBL6646981 0.83 KDM4E (0.47) KDM4EMAPTGRM5LMNA
SCHEMBL5775847 0.82 RAB9A (0.52) KDM4EMAPTJAK1LMNA
SCHEMBL5777381 0.82 GRM5 (0.46) KDM4EMAPTGRM5
SCHEMBL6743436 0.80 LMNA (0.44) KDM4EMAPTJAK2JAK3LMNA
SCHEMBL5774009 0.80 JAK2 (0.48) KDM4EMAPTJAK2JAK1LMNA
SCHEMBL5776616 0.78 MAPT (0.45) KDM4EMAPTJAK2JAK1
SCHEMBL5775294 0.76 KMT2A (0.47) KDM4EMAPTJAK1LMNA

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