SCHEMBL27514733

SCHEMBL27514733

CC(C=O)c1cnc(-c2ccc[nH]2)nc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.34
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL15219273 0.72 KDM4C (0.38) KDM4CHDAC1HDAC6
SCHEMBL23416935 0.69 KDM4C (0.38) KDM4CHDAC1HDAC6
SCHEMBL11916028 0.68 KDM4C (0.35) KDM4CHDAC1HDAC6
SCHEMBL11919035 0.68 IDO1 (0.36) KDM4CHDAC1HDAC6
SCHEMBL442421 0.67 KDM4C (0.46) KDM4CHDAC1HDAC6
SCHEMBL27836778 0.66 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL27577388 0.66 — —
SCHEMBL27832416 0.66 TYR (0.31) —
SCHEMBL2804255 0.64 KDM4C (0.40) KDM4CHDAC1HDAC6
SCHEMBL28745225 0.64 GRM5 (0.35) —

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-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 — — CN disclosed
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