SCHEMBL21138875

SCHEMBL21138875

CNc1ncnc2c1ncn2C1CC[C@@H](CC(C)C)O1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.56
▸ ADORA3 P0DMS8 8/20 0.50
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ AHCY P23526 1/20 0.44
▸ NR2F2 P24468 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
SCHEMBL21082466 1.00 YTHDC1 (0.56) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL18410858 0.87 YTHDC1 (0.60) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22524099 0.86 YTHDC1 (0.59) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2041441 0.86 YTHDC1 (0.59) YTHDC1ADORA3AHCY
SCHEMBL29318369 0.86 YTHDC1 (0.59) YTHDC1ADORA3AHCY
SCHEMBL23584826 0.83 YTHDC1 (0.55) YTHDC1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22524035 0.79 YTHDC1 (0.50) YTHDC1ADORA3ADORA2AADORA2BADORA1
Phenol SCHEMBL27699602 0.79 ABL1 (0.52) YTHDC1ADORA3NR2F2
SCHEMBL20324865 0.79 P2RY1 (0.59) YTHDC1ADORA3
SCHEMBL22687460 0.77 P2RY1 (0.51) YTHDC1ADORA3ADORA2AADORA2BADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2971010-B1 FORMULATION AND DELIVERY OF MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS MODERNATX INC (US) 2020-06-10 — — EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 — — EP disclosed
EP-3505176-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF SECRETED PROTEINS Moderna Therapeutics, Inc. (US) 2019-07-03 — — EP disclosed
Send feedback