SCHEMBL6873157

SCHEMBL6873157

Nc1cc(C(=O)NCc2ccccc2)cc2nc(-c3ccccc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.51
CSNK1D P48730 2/20 0.48
PLAU P00749 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CFD P00746 1/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.46
EGFR P00533 1/20 0.45
MAP4K4 O95819 2/20 0.45
PRKCG P05129 2/20 0.45
ROCK1 Q13464 2/20 0.45
PKN2 Q16513 2/20 0.45
MAP4K5 Q9Y4K4 2/20 0.45
JAK2 O60674 1/20 0.45
CHEK2 O96017 1/20 0.45

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
SCHEMBL6869746 0.88 PLAU (0.43) HPGDSCSNK1DPLAUHSD17B10KDM4E
SCHEMBL6870074 0.86 KMT2A (0.48) CSNK1DKDM4EALDH1A1HPGDCYP2C19
SCHEMBL6863739 0.86 SMN1; SMN2 (0.54) KDM4EALDH1A1HPGDCYP2C19LMNA
SCHEMBL6867628 0.86 ADORA2A (0.60) HPGDSPLAUHSD17B10KDM4EALDH1A1
SCHEMBL6863351 0.84 PLAU (0.47) PLAUHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6868324 0.84 NAMPT (0.46) PLAUHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6871493 0.83 ADORA2A (0.66) PLAUHPGDADORA2A
SCHEMBL6867448 0.83 HTT (0.56) KDM4EALDH1A1HPGDLMNAROCK1
SCHEMBL6871404 0.83 ADORA2A (0.51) PLAUHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6870096 0.83 ADORA2A (0.60) PLAUHSD17B10KDM4EALDH1A1HPGD

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
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed