SCHEMBL23731049

SCHEMBL23731049

CCCCN1c2nc(Cl)n(C(C)C)c2C(=O)NC1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.32
▸ RIN1 Q13671 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ GBA1 P04062 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
SCHEMBL23255225 0.78 GAA (0.33) ABL1RIN1TDP1GAA
SCHEMBL21389537 0.74 ABL1 (0.35) ABL1RIN1TDP1GAATP53
SCHEMBL21389532 0.72 ABL1 (0.33) ABL1RIN1TDP1GAATP53
SCHEMBL18466242 0.69 GBA1 (0.38) ABL1RIN1TDP1GAAGBA1
SCHEMBL21389575 0.64 GAA (0.41) ABL1RIN1TDP1GAATP53
SCHEMBL11024134 0.57 GAA (0.46) ABL1RIN1TDP1GAATP53
SCHEMBL6233301 0.57 GAA (0.46) ABL1RIN1TDP1GAATP53
SCHEMBL11371116 0.56 GBA1 (0.58) ABL1RIN1TDP1GAATP53
SCHEMBL6231243 0.53 GBA1 (0.53) ABL1RIN1TDP1GAATP53
SCHEMBL6235119 0.53 GBA1 (0.53) ABL1RIN1TDP1GAATP53

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
EP-3397640-B1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INST NAT SANTE RECH MED (FR) 2021-08-04 — — EP disclosed
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