SCHEMBL29995693

SCHEMBL29995693

Nc1nonc1-c1nc2c(F)cccc2n1Cc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 10/20 0.79
TSHR P16473 5/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL26921418 1.00 KCNK13 (0.79) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26921173 0.89 KCNK13 (0.78) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995602 0.89 KCNK13 (0.78) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995644 0.88 KCNK13 (0.61) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26921332 0.88 KCNK13 (0.61) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995814 0.88 KCNK13 (1.00) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26921650 0.88 KCNK13 (1.00) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995232 0.88 KCNK13 (0.79) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL26921871 0.88 KCNK13 (0.79) KCNK13TSHRMAPTALDH1A1HTT
SCHEMBL29995468 0.86 KCNK13 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN 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