SCHEMBL23822912

SCHEMBL23822912

N#C[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](COCc2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 4/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ HRH4 Q9H3N8 4/20 0.31
▸ HRH3 Q9Y5N1 4/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSPA5 P11021 1/20 0.31

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
SCHEMBL18666852 1.00 TNK2 (0.35) TNK2CTSLCTSBCTSKBACE1
SCHEMBL12295037 1.00 TNK2 (0.35) TNK2CTSLCTSBCTSKBACE1
SCHEMBL23047640 0.86 CTSL (0.33) TNK2CTSLCTSBCTSKBACE1
SCHEMBL25608337 0.85 MGLL (0.38) TNK2EGLN2
SCHEMBL4972175 0.85 PIK3CD (0.32) —
SCHEMBL14052168 0.84 TNK2 (0.35) TNK2BACE1TAAR1HRH4HRH3
SCHEMBL18667233 0.84 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL18666910 0.84 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL12294892 0.84 TNK2 (0.35) TNK2TAAR1HRH4HRH3LMNA
SCHEMBL18666854 0.84 TNK2 (0.35) TNK2BACE1TAAR1HRH4HRH3

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-2021183750-A2 METHODS OF PREPARING 1'-CYANO NUCLEOSIDES GILEAD SCIENCES, INC. (US) 2021-09-16 — — WO disclosed
Send feedback