SCHEMBL13770435

SCHEMBL13770435

CCN(Cc1ccc2[nH]c(-c3cc(NC(=O)c4cnn(CC5=CCCC=C5)c4)c[nH]c3=O)cc2c1)CC(C)(C)CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.34

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
SCHEMBL13770068 0.90 CHEK1 (0.35) CHEK1
SCHEMBL948816 0.89 RPS6KA2 (0.38)
SCHEMBL13770022 0.88 CHEK1 (0.36) CHEK1
SCHEMBL13769820 0.85 KLKB1 (0.35) CHEK1
SCHEMBL13770090 0.81 CHEK1 (0.39) CHEK1
SCHEMBL948893 0.81 KLKB1 (0.40) CHEK1
SCHEMBL13770152 0.81 CHEK1 (0.42) CHEK1
SCHEMBL13770437 0.81 CHEK1 (0.38) CHEK1
SCHEMBL13769818 0.81 CHEK1 (0.38) CHEK1
SCHEMBL13770020 0.80 CHEK1 (0.45) CHEK1

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
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 WO disclosed