SCHEMBL29995356

SCHEMBL29995356

Cc1nonc1-c1nc2c(F)ccc(F)c2n1Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 10/20 0.53
TLR7 Q9NYK1 2/20 0.42
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
BLM P54132 1/20 0.36

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
SCHEMBL26922458 1.00 KCNK13 (0.53) KCNK13TLR7GABRA1GABRA5GRIN1
SCHEMBL26922137 0.89 KCNK13 (0.57) KCNK13GRIN1GRIN2B
SCHEMBL29995181 0.89 KCNK13 (0.57) KCNK13GRIN1GRIN2B
SCHEMBL26921451 0.88 KCNK13 (0.68) KCNK13
SCHEMBL29995468 0.88 KCNK13 (0.68) KCNK13
SCHEMBL29995644 0.86 KCNK13 (0.61) KCNK13TLR7GABRA1GABRA5
SCHEMBL26921332 0.86 KCNK13 (0.61) KCNK13TLR7GABRA1GABRA5
SCHEMBL29995567 0.86 KCNK13 (0.63) KCNK13
SCHEMBL26922272 0.86 KCNK13 (0.63) KCNK13
SCHEMBL29995776 0.85 KCNK13 (0.54) KCNK13GABRA1GABRA5GRIN1GRIN2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP claimed
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN claimed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO claimed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed