SCHEMBL7943737

SCHEMBL7943737

Nc1ccnc2c1nc(-c1ccc(F)cc1)c(=O)n2C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.57
ALDH1A1 P00352 8/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C9 P11712 6/20 0.53
HIF1A Q16665 5/20 0.53
TSHR P16473 5/20 0.53
HSD17B10 Q99714 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.53
ALOX15 P16050 2/20 0.53
CYP3A4 P08684 7/20 0.49
USP2 O75604 6/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
CYP2C19 P33261 3/20 0.49
CLK4 Q9HAZ1 1/20 0.49
GLA P06280 1/20 0.49
LMNA P02545 1/20 0.45
MAPK14 Q16539 3/20 0.44

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
SCHEMBL7937482 0.88 CYP1A2 (0.46) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7946218 0.86 CYP1A2 (0.60) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL927165 0.86 CYP1A2 (0.57) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7937497 0.82 AKT1 (0.41) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7938293 0.81 CYP1A2 (0.48) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7938046 0.80 AKT1 (0.37) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7938231 0.80 CYP1A2 (0.60) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7946948 0.79 CYP1A2 (0.40) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7944871 0.79 AKT1 (0.38) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A
SCHEMBL7938413 0.78 CYP1A2 (0.44) CYP1A2ALDH1A1MAPK1CYP2C9HIF1A

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