SCHEMBL29995255

SCHEMBL29995255

N#Cc1ncc(Cn2c(-c3nonc3N)nc3c(F)ccc(F)c32)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 14/20 0.57
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RPS6KA5 O75582 2/20 0.40
AKT1 P31749 1/20 0.40
RPS6KA1 Q15418 1/20 0.40

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
SCHEMBL26921609 1.00 KCNK13 (0.57) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26923724 0.89 KCNK13 (0.44) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995771 0.89 KCNK13 (0.44) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26921405 0.86 KCNK13 (0.59) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29994992 0.86 KCNK13 (0.59) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995841 0.86 KCNK13 (0.68) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995087 0.86 KCNK13 (0.73) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26921954 0.86 KCNK13 (0.73) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26922198 0.86 KCNK13 (0.68) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995091 0.81 KCNK13 (0.72) KCNK13TSHRALDH1A1HTTMEN1

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