SCHEMBL13071282

SCHEMBL13071282

C=Nc1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.41
KDM4D Q6B0I6 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.32
HTT P42858 4/20 0.32

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
SCHEMBL824637 0.76 KMT2A (0.54) CDK2KDM4DALDH1A1MAPTKDM4E
SCHEMBL10102099 0.75 CDK2 (0.35) CDK2KDM4DSMN1; SMN2ALDH1A1MAPT
SCHEMBL10101838 0.75 CDK2 (0.35) CDK2KDM4DSMN1; SMN2ALDH1A1MAPT
SCHEMBL18751770 0.75 CDK2 (0.45) CDK2KDM4DSMN1; SMN2ALDH1A1MAPT
SCHEMBL12062825 0.72 CDK2 (0.42) CDK2KDM4DALDH1A1MAPTKDM4E
SCHEMBL12017341 0.72 PTGS1 (0.31) SMN1; SMN2ALDH1A1PTGS1PTGS2TSHR
SCHEMBL12905196 0.70 KMT2A (0.34) CDK2KDM4DSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4743196 0.68 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL13069064 0.68 KMT2A (0.34) SMN1; SMN2ALDH1A1MAPTKDM4EPTGS1
SCHEMBL10106457 0.68 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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-2253673-A1 AZO COMPOUND, AZO PIGMENT, AND DISPERSION, COLORED COMPOSITION, INK-JET RECORDING INK, INK-JET RECORDING INK TANK, INK-JET RECORDING METHOD AND RECORDED MATERIAL EACH CONTAINING THE AZO COMPOUND OR THE AZO PIGMENT FUJIFILM Corporation (JP) 2010-11-24 EP disclosed