SCHEMBL31430113

SCHEMBL31430113

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OP(=S)(OCCC#N)OCCC#N)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H](CI)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 13/20 0.41
▸ P2RY2 P41231 2/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ DNPH1 O43598 2/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38

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
SCHEMBL31430083 0.96 P2RY12 (0.39) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL31430106 0.89 P2RY12 (0.43) P2RY12PRMT6DNPH1
SCHEMBL31430094 0.87 RNASEL (0.36) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL19250016 0.86 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19250015 0.86 P2RY12 (0.41) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL17066102 0.86 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL31430077 0.85 KDM4E (0.41) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL31430089 0.85 KDM4E (0.41) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL18937379 0.85 P2RY12 (0.42) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL18917301 0.85 P2RY12 (0.39) P2RY12P2RY2P2RY1P2RY6PRMT6

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-2025054460-A1 PHOSPHODIESTERASE-STABLE ENDO-PHOSPHOROTHIOATE- SUBSTITUTED 2'3'-CGAMP ANALOGUES AS AGONISTS OF STIMULATOR OF INTERFERON GENE PURDUE RESEARCH FOUNDATION (US) 2025-03-13 — — WO disclosed
Send feedback