SCHEMBL28499387

SCHEMBL28499387

CC(C)c1cc(Nc2ccnc(N3CCC[C@H](N)C3)n2)cc(C(C)C)c1C#N

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 16/20 0.65
▸ ROCK2 O75116 3/20 0.48
▸ PIP5K1C O60331 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ MAP2K5 Q13163 2/20 0.45
▸ CAMK1 Q14012 2/20 0.45
▸ MAP3K11 Q16584 2/20 0.45
▸ PNCK Q6P2M8 2/20 0.45
▸ RIPK4 P57078 1/20 0.45
▸ CAMK1G Q96NX5 1/20 0.45
▸ ROCK1 Q13464 1/20 0.42
▸ EGFR P00533 1/20 0.42

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
SCHEMBL28499389 1.00 CAMK1D (0.65) CAMK1DROCK2PIP5K1CCYP2C9CYP2C19
SCHEMBL28903869 0.87 CAMK1D (0.64) CAMK1DROCK2PIP5K1CCYP2C9CYP2C19
SCHEMBL28903873 0.87 CAMK1D (0.64) CAMK1DROCK2PIP5K1CCYP2C9CYP2C19
SCHEMBL23113700 0.79 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL23113699 0.79 CAMK1D (1.00) CAMK1DPIP5K1CCYP2C9CYP2C19KCNH2
SCHEMBL28492864 0.79 CAMK1D (0.65) CAMK1DROCK2
SCHEMBL28492869 0.79 CAMK1D (0.65) CAMK1DROCK2
SCHEMBL28490797 0.78 CAMK1D (0.64) CAMK1DROCK2PIP5K1CCYP2C9CYP2C19
SCHEMBL28490794 0.78 CAMK1D (0.64) CAMK1DROCK2PIP5K1CCYP2C9CYP2C19
SCHEMBL28496446 0.77 CAMK1D (0.65) CAMK1DROCK2PIP5K1CCYP2C9CYP2C19

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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