SCHEMBL3229936

SCHEMBL3229936

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 13/20 0.44
▸ DOT1L Q8TEK3 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ HSPA8 P11142 1/20 0.36
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 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
SCHEMBL3229959 1.00 ADK (0.44) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3229577 0.90 ADORA2A (0.36) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3229596 0.90 ADORA2A (0.36) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL13495010 0.90 ADK (0.50) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3234421 0.90 ADK (0.50) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3234392 0.90 ADK (0.50) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3226222 0.89 ADK (0.47) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3226243 0.89 ADK (0.47) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3233982 0.88 ADK (0.44) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL3234007 0.88 ADK (0.44) ADKDOT1LNPC1GALR3S1PR4

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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