SCHEMBL6971588

SCHEMBL6971588

COc1c(NCc2cccc(C#N)c2)cnn1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.47
ACP1 P24666 1/20 0.45
VNN1 O95497 5/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MET P08581 2/20 0.40
KCNH2 Q12809 1/20 0.40
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL6955432 0.86 MAPT (0.46) PDE9AACP1VNN1ALDH1A1MAPT
SCHEMBL6960353 0.73 ALDH1A1 (0.41) ACP1VNN1ALDH1A1MAPTMET
SCHEMBL6971447 0.71 SLC6A2 (0.41) VNN1ALDH1A1MAPT
SCHEMBL6955428 0.71 ALDH1A1 (0.47) ALDH1A1MAPTMETGLA
SCHEMBL6962751 0.69 HTR2C (0.43) ACP1VNN1METKCNH2KDM4E
SCHEMBL6959349 0.69 VNN1 (0.47) ACP1VNN1ALDH1A1METKCNH2
SCHEMBL6965452 0.68 SOS1 (0.41) PDE9AVNN1ALDH1A1MAPTJAK2
SCHEMBL6959537 0.68 VNN1 (0.48) ACP1VNN1ALDH1A1METKCNH2
SCHEMBL6960930 0.67 VNN1 (0.47) ACP1VNN1ALDH1A1MAPTMET
SCHEMBL22791987 0.66 VNN1 (0.49) ACP1VNN1ALDH1A1MAPTKDM4E

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed