SCHEMBL29643198

SCHEMBL29643198

NC(=O)c1cnc2cncnc2c1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 11/20 0.47
AURKA O14965 1/20 0.47
AKT1 P31749 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
DYRK1A Q13627 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL29643035 0.75 MEN1 (0.56) RPS6KB1AURKAMEN1KMT2AJAK2
SCHEMBL29638725 0.73 RPS6KB1 (0.46) RPS6KB1AURKAAKT1JAK2JAK1
SCHEMBL20621843 0.72 RPS6KB1 (0.43) RPS6KB1AURKAMEN1KMT2AJAK2
SCHEMBL6763097 0.71 RPS6KB1 (0.38) RPS6KB1AKT1
SCHEMBL7174336 0.68 AURKA (0.40) RPS6KB1AURKAMEN1KMT2AJAK2
SCHEMBL22732067 0.67 TYK2 (0.46) RPS6KB1AURKAJAK2JAK1TYK2
SCHEMBL5961431 0.67 PDE4A (0.50) KDM4ESMN1; SMN2
SCHEMBL30453817 0.67 IRAK4 (0.44)
SCHEMBL22732206 0.66 TYK2 (0.47) RPS6KB1AURKAJAK2JAK1TYK2
SCHEMBL30609368 0.65 RPS6KB1 (0.44) RPS6KB1AKT1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255911-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2023-10-11 EP disclosed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 WO disclosed