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SCHEMBL28498475

SCHEMBL28498475

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 20/20 1.00
▸ PIP5K1C O60331 1/20 0.81
▸ CYP2C9 P11712 1/20 0.81
▸ CYP2C19 P33261 1/20 0.81
▸ KCNH2 Q12809 1/20 0.81
▸ MAP2K5 Q13163 1/20 0.81
▸ CAMK1 Q14012 1/20 0.81
▸ MAP3K11 Q16584 1/20 0.81
▸ PNCK Q6P2M8 1/20 0.81

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
SCHEMBL24735851 1.00 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113576 0.97 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113574 0.97 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113452 0.96 CAMK1D (1.00) CAMK1DKCNH2MAP2K5MAP3K11
SCHEMBL23113454 0.96 CAMK1D (1.00) CAMK1DKCNH2MAP2K5MAP3K11
SCHEMBL23113510 0.94 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113512 0.94 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL24736501 0.94 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113712 0.94 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113390 0.94 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
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