SCHEMBL11254006

SCHEMBL11254006

N#Cc1c[c]cc(C#N)c1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
XDH P47989 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
KDR P35968 1/20 0.31
KHK P50053 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8882232 0.83 KHK (0.37) KDM4EMEN1KMT2AKHK
SCHEMBL6479602 0.83 CSNK1A1 (0.35) CSNK1A1CLK4KHK
SCHEMBL2431802 0.74
SCHEMBL5074465 0.71 KDM4E (0.45) CSNK1A1CLK4XDHKDM4EALDH1A1
SCHEMBL2423501 0.71 TSHR (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28054995 0.71 TRPV4 (0.36) KHK
SCHEMBL28597079 0.69 KDM4E (0.43) CSNK1A1CLK4XDHKDM4EALDH1A1
SCHEMBL30352797 0.69 KDM4E (0.43) CSNK1A1CLK4XDHKDM4EALDH1A1
SCHEMBL27938406 0.69
SCHEMBL408050 0.69 TSHR (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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-0049728-A2 Method for enhancing the growth rate of meat-producing animals and for improving the lean meat to fat ratio thereof AMERICAN CYANAMID COMPANY (US) 1982-04-21 EP disclosed