SCHEMBL29995643

SCHEMBL29995643

Nc1nonc1-c1nc2ccccc2n1Cc1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.78
MAPT P10636 4/20 0.78
HTT P42858 3/20 0.78
ALDH1A1 P00352 2/20 0.78
LMNA P02545 2/20 0.78
KDM4E B2RXH2 1/20 0.78
MAPK1 P28482 1/20 0.78
KCNK13 Q9HB14 2/20 0.77
SMN1; SMN2 Q16637 3/20 0.69
TP53 P04637 3/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
PRKACA P17612 3/20 0.63
RPS6KB1 P23443 3/20 0.63
GSK3B P49841 3/20 0.63
ROCK1 Q13464 3/20 0.63
RPS6KA5 O75582 1/20 0.63

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
SCHEMBL26922470 1.00 TSHR (0.78) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL29995749 0.88 KCNK13 (0.76) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL26922395 0.88 KCNK13 (0.76) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL29995731 0.88 TSHR (0.78) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL26921748 0.88 TSHR (0.78) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL15225165 0.88 TSHR (1.00) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL26921036 0.87 KCNK13 (1.00) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL29995147 0.87 KCNK13 (1.00) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL29995836 0.86 KCNK13 (0.77) TSHRMAPTHTTALDH1A1LMNA
SCHEMBL26921131 0.86 KCNK13 (0.77) TSHRMAPTHTTALDH1A1LMNA

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