SCHEMBL957632

SCHEMBL957632

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c1)c1cn[nH]c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.62
ACKR3 P25106 1/20 0.47

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
SCHEMBL950529 0.84 CHEK1 (0.51) CHEK1
SCHEMBL949408 0.84 CHEK1 (0.51) CHEK1
SCHEMBL949304 0.84 CHEK1 (0.52) CHEK1
SCHEMBL949831 0.84 CHEK1 (0.50) CHEK1
SCHEMBL949819 0.84 CHEK1 (0.49) CHEK1
SCHEMBL949464 0.84 CHEK1 (0.49) CHEK1
SCHEMBL948841 0.83 CHEK1 (0.51) CHEK1
SCHEMBL948927 0.82 CHEK1 (0.50) CHEK1
SCHEMBL948390 0.82 CHEK1 (0.49) CHEK1
SCHEMBL952673 0.82 CHEK1 (0.49) 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-2011010083-A1 INDOLYL-PYRIDONE DERIVATIVES VERNALIS (R & D) LTD (GB) 2011-01-27 WO disclosed