SCHEMBL28501055

SCHEMBL28501055

CC(C)c1cc(Nc2nc(N3CCCC(OC(N)=O)C3)ncc2C(N)=O)cc(C(C)(C)O)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 20/20 0.80
PIP5K1C O60331 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
KCNH2 Q12809 2/20 0.58
MAP2K5 Q13163 2/20 0.58
CAMK1 Q14012 2/20 0.58
MAP3K11 Q16584 2/20 0.58
PNCK Q6P2M8 2/20 0.58
RIPK4 P57078 1/20 0.57
CAMK1G Q96NX5 1/20 0.57

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
SCHEMBL23113498 0.89 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113502 0.89 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL28501134 0.87 CAMK1D (0.77) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL28501131 0.87 CAMK1D (0.77) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113370 0.86 CAMK1D (0.80) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL28496491 0.85 CAMK1D (0.77) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL30022226 0.85 CAMK1D (0.76) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL28501147 0.84 CAMK1D (0.64) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL28501145 0.84 CAMK1D (0.64) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113494 0.83 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2

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