SCHEMBL13834962

SCHEMBL13834962

NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.82
POLB P06746 1/20 0.71
DOT1L Q8TEK3 3/20 0.70
DPP4 P27487 1/20 0.70
MEN1 O00255 1/20 0.70
SLC28A1 O00337 1/20 0.70
MAP3K7 O43318 1/20 0.70
SLC28A2 O43868 1/20 0.70
GAPDH P04406 1/20 0.70
MAPK1 P28482 1/20 0.70
ADORA2A P29274 1/20 0.70
ADORA2B P29275 1/20 0.70
ADORA1 P30542 1/20 0.70
STAT6 P42226 1/20 0.70
PI4KA P42356 1/20 0.70
KMT2A Q03164 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
PI4K2B Q8TCG2 1/20 0.70
SLC29A1 Q99808 1/20 0.70
PI4K2A Q9BTU6 1/20 0.70

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
SCHEMBL13834964 1.00 ADORA3 (0.82) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL13834960 1.00 ADORA3 (0.82) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL646664 0.90 ADORA3 (1.00) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL30612749 0.90 ADORA3 (1.00) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL646666 0.90 ADORA3 (1.00) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL14263529 0.90 ADORA3 (1.00) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL646665 0.90 ADORA3 (1.00) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL14565267 0.90 ADORA3 (1.00) ADORA3POLBDOT1LDPP4MEN1
SCHEMBL506313 0.90 DOT1L (0.81) ADORA3DOT1LDPP4MEN1SLC28A1
SCHEMBL8332213 0.90 DOT1L (0.81) ADORA3DOT1LDPP4MEN1SLC28A1

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
EP-2707483-B1 METHODS AND MATERIALS FOR NUCLEIC ACID MANIPULATION RWTH AACHEN UNIV (DE) 2017-10-18 EP disclosed
US-20120295311-A1 Methods and Materials for Nucleic Acid Manipulation BASF SE (DE) 2012-11-22 US disclosed