SCHEMBL5042576

SCHEMBL5042576

Cc1ccc(-c2nc(CN)c[nH]2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
KMO O15229 2/20 0.38
DPP4 P27487 1/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KCNH2 Q12809 2/20 0.34
GRIN2B Q13224 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ERN1 O75460 1/20 0.32
PTGES O14684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAPT P10636 2/20 0.32
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5035220 0.90 KMO (0.40) NISCHKMODPP4MGAMGAA
SCHEMBL2560329 0.73 ERN1 (0.43) NISCHKMOMGAMGAASI
SCHEMBL600053 0.72 TAAR1 (0.50) DPP4MGAMGAASIMGAM2
SCHEMBL6596072 0.71 KMT2A (0.40) NISCHDPP4GAATAAR1MAPT
Hydrochloric Acid SCHEMBL7340468 0.69 KMT2A (0.39) NISCHDPP4GAATAAR1MAPT
SCHEMBL4790256 0.69 LOXL2 (0.39) GAAPDE3BPDE3AMAPTKDM4E
SCHEMBL28128066 0.69 MAOB (0.44) TAAR1KDM4ENPC1ALDH1A1PKM
SCHEMBL7159559 0.69 ALDH1A1 (0.47) GAAERN1MAPTKDM4ENPC1
SCHEMBL7162384 0.68 GRIN2B (0.38) KCNH2GRIN2B
Hydroxyamine SCHEMBL7338060 0.67 KMT2A (0.37) NISCHDPP4GAATAAR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680420-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP disclosed
EP-1680420-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-19 EP disclosed
WO-2005046588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-05-26 WO disclosed