SCHEMBL16123784

SCHEMBL16123784

O=c1nc2c3ncn(Cc4ccc(Cl)cc4)c3ncnc-2n1Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
ADORA2A P29274 2/20 0.43
FGFR1 P11362 9/20 0.42
FGFR4 P22455 9/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL12112171 0.96 MEN1 (0.47) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL12112160 0.91 PDE10A (0.48) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL13394123 0.89 HDAC6 (0.43) HDAC6ADORA2AFGFR1FGFR4PI4KA
SCHEMBL13394148 0.89 SLC29A1 (0.47) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL15214749 0.89 ADORA2A (0.47) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL13394054 0.89 SLC29A1 (0.47) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL15214751 0.89 PDE10A (0.51) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL15214750 0.89 ADORA2A (0.41) SLC29A1HDAC6ADORA2AFGFR1FGFR4
SCHEMBL13394062 0.87 PDE10A (0.52) SLC29A1ADORA2AFGFR1FGFR4PI4KA
SCHEMBL15214762 0.86 FGFR1 (0.47) HDAC6FGFR1FGFR4

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
WO-2014149084-A2 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-25 WO disclosed