SCHEMBL30173457

SCHEMBL30173457

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N(C)C(=O)c5ccccc5)ncnc43)[C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.42
▸ LMNA P02545 2/20 0.40
▸ NT5E P21589 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPEPPS P55786 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL29793200 0.95 TYMP (0.42) TYMPLMNANT5EADORA2AADORA2B
SCHEMBL30173452 0.94 TYMP (0.42) TYMPLMNANT5EADORA2AADORA2B
SCHEMBL29793043 0.91 TYMP (0.39) TYMPLMNANT5EADORA2AADORA2B
SCHEMBL30601047 0.91 TYMP (0.43) TYMPLMNANT5EADORA1
SCHEMBL29644745 0.90 TYMP (0.42) TYMPNT5EADORA1
SCHEMBL29471806 0.90 TYMP (0.42) TYMPNT5EADORA1
SCHEMBL18927153 0.90 TYMP (0.42) TYMPNT5EADORA1
SCHEMBL18511052 0.90 TYMP (0.42) TYMPNT5EADORA1
SCHEMBL31160200 0.89 TYMP (0.43) TYMPLMNAADORA2AADORA2BSMN1; SMN2
SCHEMBL29793014 0.89 TYMP (0.43) TYMPLMNAADORA2AADORA2BSMN1; SMN2

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-2023277168-A1 POLYNUCLEOTIDE AND MEDICINAL COMPOSITION 協和キリン株式会社 2023-01-05 — — WO disclosed
Send feedback