SCHEMBL30801243

SCHEMBL30801243

Nc1ccc(N2CCC(N3CC(C(=O)O)C3)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABL1 P00519 1/20 0.44
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 7/20 0.42
NEK2 P51955 2/20 0.41
KMT2A Q03164 1/20 0.40
ADRA1A P35348 4/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
USP30 Q70CQ3 2/20 0.40

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
SCHEMBL3544514 0.88 LMNA (0.55) LMNAKDM4EABL1HTTNEK2
SCHEMBL24671781 0.82 KDM4E (0.41) LMNAKDM4EABL1HRH3ADRA1A
SCHEMBL594954 0.79 LMNA (0.67) LMNAKDM4EABL1HRH3KMT2A
SCHEMBL18403894 0.79 HRH3 (0.51) HRH3KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL30191321 0.77 HRH3 (0.49) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3387350 0.77 HRH3 (0.49) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15651219 0.77 MAP4K4 (0.49) LMNAKDM4EHTTHRH3KMT2A
SCHEMBL15651714 0.77 LMNA (0.56) LMNAKDM4EABL1HRH3KMT2A
SCHEMBL10126760 0.77 GRIN2D (0.46) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2145523 0.77 HRH3 (0.48) LMNAKDM4EABL1HRH3GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed