SCHEMBL28496906

SCHEMBL28496906

N[C@H]1CCCN(c2nccc(Nc3cc(Br)cc(C(=O)N4CCOCC4)c3)n2)C1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 17/20 0.71
▸ ROCK2 O75116 1/20 0.43
▸ BTK Q06187 2/20 0.43

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
SCHEMBL28496909 1.00 CAMK1D (0.71) CAMK1DROCK2BTK
SCHEMBL28502073 0.90 CAMK1D (0.71) CAMK1DROCK2BTK
SCHEMBL28502077 0.90 CAMK1D (0.71) CAMK1DROCK2BTK
SCHEMBL28502200 0.88 CAMK1D (0.71) CAMK1D
SCHEMBL23113242 0.83 CAMK1D (1.00) CAMK1D
SCHEMBL23113241 0.83 CAMK1D (1.00) CAMK1D
SCHEMBL28509419 0.80 CAMK1D (0.70) CAMK1DROCK2
SCHEMBL23113232 0.73 CAMK1D (1.00) CAMK1D
SCHEMBL23113698 0.73 CAMK1D (1.00) CAMK1D
SCHEMBL23113697 0.73 CAMK1D (1.00) CAMK1D

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-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN disclosed
Send feedback