SCHEMBL29995758

SCHEMBL29995758

Nc1nonc1-c1nc2cccc(F)c2n1Cc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 14/20 1.00
TSHR P16473 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL26922920 1.00 KCNK13 (1.00) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995508 0.88 KCNK13 (0.81) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26922277 0.88 KCNK13 (0.81) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995470 0.88 KCNK13 (1.00) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26921819 0.88 KCNK13 (1.00) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26921232 0.88 KCNK13 (1.00) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29994997 0.88 KCNK13 (1.00) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26921792 0.87 KCNK13 (0.77) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL29995640 0.86 KCNK13 (0.75) KCNK13TSHRALDH1A1HTTMEN1
SCHEMBL26921801 0.86 KCNK13 (0.75) 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 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