SCHEMBL27728147

SCHEMBL27728147

N#Cc1cnc2c(Cl)cc(NCc3cn(CCCN)nn3)cc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 20/20 1.00
CAMK2B Q13554 1/20 0.74
CAMK2G Q13555 1/20 0.74
CAMK2D Q13557 1/20 0.74
CAMK2A Q9UQM7 1/20 0.74

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
SCHEMBL27707332 0.93 MAP3K8 (0.87) MAP3K8CAMK2BCAMK2GCAMK2DCAMK2A
SCHEMBL27728235 0.90 MAP3K8 (0.84) MAP3K8CAMK2BCAMK2GCAMK2DCAMK2A
SCHEMBL27707476 0.90 MAP3K8 (0.84) MAP3K8
SCHEMBL27728161 0.89 MAP3K8 (1.00) MAP3K8CAMK2BCAMK2GCAMK2DCAMK2A
SCHEMBL4962272 0.89 MAP3K8 (0.88) MAP3K8CAMK2BCAMK2GCAMK2DCAMK2A
SCHEMBL27707365 0.89 MAP3K8 (0.83) MAP3K8CAMK2BCAMK2GCAMK2DCAMK2A
SCHEMBL4961801 0.89 MAP3K8 (1.00) MAP3K8
SCHEMBL31212691 0.89 MAP3K8 (1.00) MAP3K8
SCHEMBL6071565 0.88 MAP3K8 (1.00) MAP3K8
SCHEMBL27728133 0.88 MAP3K8 (0.88) MAP3K8

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-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed