SCHEMBL29995602

SCHEMBL29995602

Nc1nonc1-c1nc2c(F)cccc2n1Cc1cncnc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 10/20 0.78
TSHR P16473 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 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
SCHEMBL26921173 1.00 KCNK13 (0.78) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL26921418 0.89 KCNK13 (0.79) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29995693 0.89 KCNK13 (0.79) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29995176 0.88 KCNK13 (0.61) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL26923493 0.88 KCNK13 (0.61) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29995814 0.88 KCNK13 (1.00) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL26921650 0.88 KCNK13 (1.00) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29995232 0.85 KCNK13 (0.79) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL26921871 0.85 KCNK13 (0.79) KCNK13TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29995841 0.85 KCNK13 (0.68) KCNK13TSHRSMN1; SMN2ALDH1A1HTT

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