SCHEMBL29995472

SCHEMBL29995472

Nc1nonc1-c1nc2cccc(F)c2n1Cc1ccncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 14/20 1.00
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
DYRK1A Q13627 1/20 0.45
RPS6KA5 O75582 1/20 0.44

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
SCHEMBL26922239 1.00 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL29995154 0.86 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL26922690 0.86 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL29995758 0.85 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL26922920 0.85 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL26921287 0.84 KCNK13 (0.74) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL29995770 0.84 KCNK13 (0.74) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL26921718 0.83 KCNK13 (0.72) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL29995802 0.83 KCNK13 (0.72) KCNK13ALDH1A1TSHRHTTTP53
SCHEMBL29995185 0.82 KCNK13 (1.00) KCNK13ALDH1A1TSHRHTTTP53

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