SCHEMBL12636795

SCHEMBL12636795

CCCCCCn1cc(C#N)c(N=Nc2cnn(C)c2N)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.36
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 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
SCHEMBL12636792 0.96 TLR8 (0.31) KDR
SCHEMBL12636780 0.88 MAPT (0.31) KDM4ETSHRHTTALDH1A1POLB
SCHEMBL12636801 0.80 KDR (0.36) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL12636773 0.80 MAPT (0.33) TSHRHTTALDH1A1POLBMAPT
SCHEMBL12636832 0.78 KDR (0.34) KDR
SCHEMBL12636797 0.78 MAPT (0.36) KDM4EGAAHSD17B10MEN1TSHR
SCHEMBL12636794 0.76 CCNT1 (0.32) KDRMEN1KMT2APOLBMAPT
SCHEMBL12636821 0.73 CCNT1 (0.30)
SCHEMBL1740452 0.73 KDR (0.51) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL1742916 0.73 KDR (0.51) KDRKDM4EGAAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947625-B2 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20070202282-A1 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed