SCHEMBL28886471

SCHEMBL28886471

Nc1nc2ncn(-n3cnc4c(N)ncnc43)c2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.40
▸ ADORA1 P30542 4/20 0.40
▸ XDH P47989 3/20 0.38
▸ STING1 Q86WV6 5/20 0.38
▸ PI4KA P42356 4/20 0.38
▸ PI4K2B Q8TCG2 4/20 0.38
▸ PI4K2A Q9BTU6 4/20 0.38
▸ PI4KB Q9UBF8 4/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1831279 0.84 XDH (0.50) XDHSTING1MEN1ALDH1A1LMNA
SCHEMBL580610 0.75 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.73 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27773184 0.72 ADORA2A (0.43) ADORA2AADORA1STING1PI4KAPI4K2B
SCHEMBL28410735 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Adenine SCHEMBL28949703 0.72 PNP (0.42) ADORA2AADORA1XDHMEN1ALDH1A1
SCHEMBL23365318 0.71 ADORA2A (0.43) ADORA2AADORA1MEN1ALDH1A1CYP3A4
SCHEMBL986800 0.71 XDH (0.60) XDHMEN1ALDH1A1LMNACYP3A4
SCHEMBL3474052 0.70 ADORA2A (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL15005119 0.70 XDH (0.59) XDHMEN1ALDH1A1LMNACYP3A4

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
CN-105264091-B Compositions and methods for modulating TAU expression IONIS制药公司 2020-02-28 — — CN disclosed
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