SCHEMBL24286183

SCHEMBL24286183

OCC1CC(n2nnc3c(N[C@@H]4c5ccccc5C[C@@H]4O)ncnc32)CC1O

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 19/20 0.75
UBA3 Q8TBC4 19/20 0.75
UBA1 P22314 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44

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
SCHEMBL22787485 0.86 NAE1 (1.00) NAE1UBA3UBA1
SCHEMBL22787484 0.79 NAE1 (0.49) NAE1UBA3
SCHEMBL22787521 0.78 NAE1 (0.86) NAE1UBA3UBA1
SCHEMBL22787574 0.75 NAE1 (0.75) NAE1UBA3
SCHEMBL24286006 0.75 NAE1 (0.75) NAE1UBA3
SCHEMBL24286412 0.74 P2RY12 (0.52) NAE1UBA3
SCHEMBL22787463 0.73 NAE1 (0.75) NAE1UBA3
SCHEMBL22787515 0.73 NAE1 (0.75) NAE1UBA3
SCHEMBL22787469 0.72 AHCY (0.48) NAE1UBA3UBA1
SCHEMBL22787487 0.72 AURKA (0.47) NAE1UBA3AURKARPS6KB1

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-3985007-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-20 EP disclosed