SCHEMBL7945874

SCHEMBL7945874

Cc1ccc(-c2nc3c(N)ccnc3n(C3CC3)c2=O)o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.43
AKT1 P31749 5/20 0.40
MTOR P42345 5/20 0.40
FBP1 P09467 2/20 0.38
KDM5B Q9UGL1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7938046 0.82 AKT1 (0.37) AKT1MTORFBP1ALDH1A1TSHR
SCHEMBL7944871 0.78 AKT1 (0.38) ADORA2AAKT1MTORALDH1A1TSHR
SCHEMBL7937482 0.78 CYP1A2 (0.46) AKT1MTORALDH1A1TSHR
SCHEMBL7937497 0.77 AKT1 (0.41) AKT1MTORALDH1A1TSHR
SCHEMBL7938419 0.77 AKT1 (0.41) AKT1MTORALDH1A1TSHR
SCHEMBL7938180 0.77 AKT1 (0.41) AKT1MTORALDH1A1TSHR
SCHEMBL7943737 0.76 CYP1A2 (0.57) AKT1MTORALDH1A1TSHR
SCHEMBL7946948 0.76 CYP1A2 (0.40) AKT1MTORALDH1A1TSHR
SCHEMBL3227759 0.75 ALDH1A1 (0.39) ADORA2AAKT1MTORALDH1A1TSHR
SCHEMBL7938293 0.74 CYP1A2 (0.48) AKT1MTORALDH1A1TSHR

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
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed