SCHEMBL24914820

SCHEMBL24914820

O=c1c2c(c3cccnc3n1Cc1ccc(Br)cc1)CCN(Cc1cccc(Br)c1)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 15/20 0.56
▸ MAPT P10636 2/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ENPP2 Q13822 2/20 0.42

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
SCHEMBL30130064 1.00 CLPP (0.56) CLPPMAPTDDB1CRBNTHRB
SCHEMBL30130092 0.95 CLPP (0.61) CLPPMAPTDDB1CRBNENPP2
SCHEMBL24914512 0.95 CLPP (0.61) CLPPMAPTDDB1CRBNENPP2
SCHEMBL24914802 0.95 CLPP (0.61) CLPPMAPTDDB1CRBNENPP2
SCHEMBL30130060 0.94 CLPP (0.54) CLPPMAPTDDB1CRBNTHRB
SCHEMBL24914819 0.94 CLPP (0.54) CLPPMAPTDDB1CRBNTHRB
SCHEMBL30130056 0.94 CLPP (0.54) CLPPMAPTENPP2
SCHEMBL24914821 0.94 CLPP (0.54) CLPPMAPTDDB1CRBNTHRB
SCHEMBL24914422 0.94 CLPP (0.54) CLPPMAPTENPP2
SCHEMBL24914469 0.93 CLPP (0.54) CLPPMAPTDDB1CRBNCYP3A4

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-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 — — WO disclosed
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