SCHEMBL8340809

SCHEMBL8340809

O=c1[nH]cnc2[nH]c(C3(CO)CCC3)nc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PNP P00491 9/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ACHE P22303 1/20 0.30
▸ GDA Q9Y2T3 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALB P02768 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL1560853 0.76 PARP1 (0.41) PNPADORA3ACHEGDAALDH1A1
SCHEMBL3845982 0.66 — —
SCHEMBL3941170 0.65 ACHE (0.40) JAK2PNPADORA3ACHEGDA
SCHEMBL1992700 0.65 PARP1 (0.41) ACHEGDAALDH1A1LMNA
SCHEMBL10518128 0.65 ALDH1A1 (0.53) PNPADORA3ACHEGDAALDH1A1
SCHEMBL1993929 0.64 ADORA2A (0.40) PNPADORA3ACHEGDAALDH1A1
SCHEMBL8667323 0.64 PNP (0.53) PNPALDH1A1
SCHEMBL5438527 0.63 ACHE (0.36) ADORA3ACHEGDAALDH1A1LMNA
SCHEMBL19181967 0.63 PNP (0.37) PNP
SCHEMBL8340805 0.62 PNP (0.36) JAK2JAK1PNPGDAALDH1A1

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
US-5874578-A Process for preparing guanine-containing antiviral agents and purinyl salts useful in such process BRISTOL-MYERS SQUIBB (US) 1999-02-23 — — US disclosed
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