SCHEMBL29467365

SCHEMBL29467365

COC(=O)c1ccccc1[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@@]12CC2(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.45
▸ P2RY12 Q9H244 3/20 0.37
▸ BMPR1B O00238 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36

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
SCHEMBL24649458 0.83 PRMT6 (0.47) PRMT6P2RY12BMPR1BPRKAB2PRKAG1
SCHEMBL22915811 0.74 ADORA1 (0.46) P2RY12ADORA1ADORA2AADORA2B
SCHEMBL29779803 0.74 ADORA1 (0.46) P2RY12ADORA1ADORA2AADORA2B
SCHEMBL22915758 0.73 PRMT6 (0.47) PRMT6P2RY12BMPR1BPRKAB2PRKAG1
SCHEMBL31023255 0.72 PRMT6 (0.39) PRMT6P2RY12ADORA1P2RY2P2RY1
SCHEMBL22915721 0.70 TYMP (0.47) P2RY12ADORA1ADORA2AADORA2B
SCHEMBL29779799 0.70 TYMP (0.47) P2RY12ADORA1ADORA2AADORA2B
SCHEMBL12767357 0.70 PRMT6 (0.50) PRMT6P2RY12PRKAB2PRKAG1PRKAA2
SCHEMBL8905007 0.69 PRKAB2 (0.67) PRMT6P2RY12BMPR1BPRKAB2PRKAG1
SCHEMBL10191583 0.69 PRMT6 (0.53) PRMT6P2RY12BMPR1BPRKAB2PRKAG1

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
CN-114206898-B Cyclic dinucleotides as STING agonists 百济神州有限公司 2024-06-25 — — CN disclosed
CN-114206898-A Cyclic dinucleotides as STING agonists 百济神州有限公司 2022-03-18 — — CN disclosed
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