SCHEMBL6869746

SCHEMBL6869746

Nc1cc(C(=O)NCc2ccccc2)cc2nc(-c3ccoc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
CSNK1D P48730 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 3/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
ADORA2A P29274 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPT P10636 2/20 0.41
MAP3K5 Q99683 1/20 0.41
POLB P06746 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
SCHEMBL6872215 0.90 EGLN2 (0.42) CSNK1DALDH1A1KDM4ETSHRKMT2A
SCHEMBL6871283 0.90 PTGER2 (0.44) CSNK1DALDH1A1MEN1KMT2ALMNA
SCHEMBL6873157 0.88 HPGDS (0.51) PLAUCSNK1DALDH1A1HSD17B10KDM4E
SCHEMBL6870707 0.87 KMT2A (0.43) ALDH1A1KMT2ALMNAADORA2AMAPT
SCHEMBL6863096 0.87 SMN1; SMN2 (0.43) ALDH1A1HSD17B10KDM4EHPGDCYP2C19
SCHEMBL6869842 0.85 PLAU (0.48) PLAUALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6870631 0.84 LMNA (0.48) ALDH1A1HSD17B10KDM4EHPGDCYP2C19
SCHEMBL6870530 0.82 ADORA2A (0.43) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL6863099 0.81 ADORA2A (0.45) ADORA2AMAP3K5
SCHEMBL6870638 0.80 ADORA2A (0.55) ALDH1A1HPGDMEN1TSHRKMT2A

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