SCHEMBL29995644

SCHEMBL29995644

Cc1nonc1-c1nc2c(F)cccc2n1Cc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 8/20 0.61
TSHR P16473 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP11B2 P19099 2/20 0.41

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
SCHEMBL26921332 1.00 KCNK13 (0.61) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26921174 0.90 KCNK13 (0.52) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995489 0.90 KCNK13 (0.52) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995176 0.89 KCNK13 (0.61) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26923493 0.89 KCNK13 (0.61) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995693 0.88 KCNK13 (0.79) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26921418 0.88 KCNK13 (0.79) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995356 0.86 KCNK13 (0.53) KCNK13TLR7GABRA1GABRA5
SCHEMBL26922458 0.86 KCNK13 (0.53) KCNK13TLR7GABRA1GABRA5
SCHEMBL29995559 0.83 KCNK13 (0.57) KCNK13TSHRMAPTALDH1A1HTT

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