SCHEMBL16631311

SCHEMBL16631311

CCC(C)P(=O)(O)OC(C)(CC)C[C@H]1O[C@@H](n2cc(-n3cc(Cc4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 8/20 0.41
TK2 O00142 1/20 0.40
TK1 P04183 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
DNPH1 O43598 1/20 0.37
P2RY6 Q15077 5/20 0.36
P2RY14 Q15391 3/20 0.35

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
SCHEMBL16631600 0.82 P2RY2 (0.44) P2RY2ADORA3ADORA1DNPH1P2RY6
SCHEMBL16631370 0.80 ADORA3 (0.53) P2RY2TK2TK1ADORA3ADORA1
SCHEMBL18080031 0.77 P2RY2 (0.57) P2RY2P2RY6P2RY14
SCHEMBL17359469 0.73 DNPH1 (0.46) P2RY2TK1DNPH1P2RY6P2RY14
SCHEMBL18844833 0.73 DNPH1 (0.46) P2RY2TK1DNPH1P2RY6P2RY14
SCHEMBL18081589 0.73 P2RY2 (0.46) P2RY2DNPH1P2RY6P2RY14
SCHEMBL15762146 0.73 DNPH1 (0.47) P2RY2TK1DNPH1P2RY6P2RY14
SCHEMBL16597023 0.73 DNPH1 (0.47) P2RY2TK1DNPH1P2RY6P2RY14
SCHEMBL16631334 0.72 EIF4E (0.30)
SCHEMBL16479411 0.72 P2RY6 (0.54) P2RY2DNPH1P2RY6P2RY14

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed