SCHEMBL3229541

SCHEMBL3229541

C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 12/20 0.49
▸ DOT1L Q8TEK3 3/20 0.49
▸ ADORA2A P29274 1/20 0.48
▸ NPC1 O15118 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ PRMT5 O14744 4/20 0.41
▸ METTL3 Q86U44 2/20 0.39
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38

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
SCHEMBL1737291 0.88 ADK (0.52) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL4428509 0.88 ADK (0.65) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL3229218 0.88 ADK (0.49) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL1735824 0.88 ADK (0.65) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL1737689 0.88 ADK (0.49) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL3229656 0.86 ADK (0.55) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL3229639 0.86 ADK (0.55) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL3234421 0.86 ADK (0.50) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL3234392 0.86 ADK (0.50) ADKDOT1LADORA2ANPC1GALR3
SCHEMBL13495010 0.86 ADK (0.50) ADKDOT1LADORA2ANPC1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
WO-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
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