SCHEMBL2365649

SCHEMBL2365649

CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.45
PNP P00491 1/20 0.41
GSK3A P49840 2/20 0.40
RPS6KA3 P51812 2/20 0.40
MAPK14 Q16539 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KRAS P01116 7/20 0.38
NT5E P21589 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL1344477 0.89 HINT1 (0.40) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL5216686 0.89 HINT1 (0.46) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL25688968 0.84 KDM4E (0.44) HINT1TAS1R3TAS1R1HPGD
SCHEMBL5668128 0.83 KDM4E (0.48) HINT1TAS1R3TAS1R1HPGD
SCHEMBL12991055 0.82 HINT1 (0.33) HINT1TAS1R3TAS1R1HPGD
SCHEMBL6243042 0.82 HINT1 (0.50) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL18510883 0.81 KDM4E (0.44) HINT1TAS1R3TAS1R1HPGD
SCHEMBL18510954 0.81 KDM4E (0.44) HINT1TAS1R3TAS1R1HPGD
SCHEMBL14896399 0.81 HINT1 (0.49) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL18521378 0.81 KDM4E (0.48) HINT1TAS1R3TAS1R1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2899278-A1 iRNA agents targeting VEGF Alnylam Pharmaceuticals Inc. (US) 2015-07-29 EP disclosed
EP-2636739-B1 iRNA agents targeting VEGF ALNYLAM PHARMACEUTICALS INC (US) 2014-12-10 EP disclosed
EP-2636739-A1 iRNA agents targeting VEGF Alnylam Pharmaceuticals Inc. (US) 2013-09-11 EP disclosed
EP-2365077-B1 iRNA agents targeting VEGF ALNYLAM PHARMACEUTICALS INC (US) 2013-05-08 EP disclosed
EP-2365077-A1 iRNA agents targeting VEGF Alnylam Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed