SCHEMBL17066102

SCHEMBL17066102

COC1[C@@H](COP(=O)(OC)OCCC#N)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 12/20 0.44
▸ ADORA1 P30542 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.42
▸ P2RY2 P41231 1/20 0.42
▸ P2RY1 P47900 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ DNPH1 O43598 2/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL18937379 0.88 P2RY12 (0.42) P2RY12ADORA1PRMT6P2RY2P2RY1
SCHEMBL26109732 0.86 PRMT6 (0.45) P2RY12ADORA1PRMT6P2RY2P2RY1
SCHEMBL31430113 0.86 P2RY12 (0.41) P2RY12PRMT6P2RY2P2RY1P2RY6
SCHEMBL26112399 0.85 PRMT6 (0.48) P2RY12ADORA1PRMT6P2RY2P2RY1
SCHEMBL31670488 0.84 PRMT6 (0.42) P2RY12ADORA1PRMT6
SCHEMBL19250015 0.84 P2RY12 (0.41) P2RY12ADORA1PRMT6P2RY2P2RY1
SCHEMBL13020575 0.84 MEN1 (0.50) P2RY12ADORA1PRMT6
SCHEMBL13020577 0.84 PRMT6 (0.49) P2RY12ADORA1PRMT6P2RY2P2RY1
SCHEMBL18927159 0.83 P2RY12 (0.45) P2RY12ADORA1PRMT6P2RY2P2RY1
SCHEMBL22220010 0.83 P2RY12 (0.42) P2RY12ADORA1PRMT6P2RY2P2RY1

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
US-9127277-B2 Methods and compositions for prevention or treatment of RSV infection ALNYLAM PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
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