SCHEMBL23585752

SCHEMBL23585752

CCn1nc(C)c(Br)c1C(=O)Nc1nc2cc(C)cc3c2n1CCO3

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR3C1 P04150 1/20 0.33
STING1 Q86WV6 5/20 0.33
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL23585754 0.90 STING1 (0.36) RAB9ALMNAEPHX2KDM4ESMN1; SMN2
SCHEMBL21766454 0.90 STING1 (0.42) STING1
SCHEMBL21766440 0.79 STING1 (0.42) STING1
SCHEMBL21766433 0.79 STING1 (0.36) RAB9ASTING1
SCHEMBL21766438 0.79 STING1 (0.42) STING1
SCHEMBL23585793 0.78 STING1 (0.43) STING1
SCHEMBL21766224 0.77 STING1 (0.39) STING1
SCHEMBL21766533 0.74 LMNA (0.32) LMNASTING1TSHR
SCHEMBL21766531 0.74 STING1 (0.41) STING1PIK3CA
SCHEMBL21766140 0.72 STING1 (0.58) STING1

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-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed