SCHEMBL29995154

SCHEMBL29995154

Nc1nonc1-c1nc2cccc(F)c2n1Cc1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 12/20 1.00
DYRK1A Q13627 2/20 0.47
RPS6KA5 O75582 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
ROCK1 Q13464 1/20 0.47
RPS6KA1 Q15418 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL26922690 1.00 KCNK13 (1.00) KCNK13DYRK1ARPS6KA5ALDH1A1TSHR
SCHEMBL26922239 0.86 KCNK13 (1.00) KCNK13DYRK1ARPS6KA5ALDH1A1TSHR
SCHEMBL29995472 0.86 KCNK13 (1.00) KCNK13DYRK1ARPS6KA5ALDH1A1TSHR
SCHEMBL26922277 0.84 KCNK13 (0.81) KCNK13ALDH1A1TSHRHTTMEN1
SCHEMBL29995508 0.84 KCNK13 (0.81) KCNK13ALDH1A1TSHRHTTMEN1
SCHEMBL26921995 0.84 KCNK13 (0.75) KCNK13RPS6KA5ALDH1A1TSHRHTT
SCHEMBL29994945 0.84 KCNK13 (0.75) KCNK13RPS6KA5ALDH1A1TSHRHTT
SCHEMBL29995758 0.83 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTMEN1
SCHEMBL26922920 0.83 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTMEN1
SCHEMBL29995185 0.82 KCNK13 (1.00) KCNK13RPS6KA5ALDH1A1TSHRHTT

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