SCHEMBL29995147

SCHEMBL29995147

Nc1nonc1-c1nc2ccccc2n1Cc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 6/20 1.00
TSHR P16473 5/20 0.84
MAPT P10636 4/20 0.84
HTT P42858 3/20 0.84
ALDH1A1 P00352 2/20 0.84
KDM4E B2RXH2 1/20 0.84
LMNA P02545 1/20 0.84
MAPK1 P28482 1/20 0.84
TP53 P04637 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
NPSR1 Q6W5P4 1/20 0.77
RPS6KA5 O75582 1/20 0.67
PRKACA P17612 1/20 0.67
RPS6KB1 P23443 1/20 0.67
GSK3B P49841 1/20 0.67
ROCK1 Q13464 1/20 0.67

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
SCHEMBL26921036 1.00 KCNK13 (1.00) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL15225165 0.91 TSHR (1.00) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL1904814 0.88 TSHR (1.00) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL1905084 0.88 TSHR (1.00) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL26922150 0.88 KCNK13 (1.00) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL29996133 0.88 KCNK13 (1.00) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL29995836 0.87 KCNK13 (0.77) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL26921131 0.87 KCNK13 (0.77) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL29995643 0.87 TSHR (0.78) KCNK13TSHRMAPTHTTALDH1A1
SCHEMBL26922470 0.87 TSHR (0.78) KCNK13TSHRMAPTHTTALDH1A1

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