SCHEMBL15520463

SCHEMBL15520463

CC(C)(COc1ccc2[nH]c(-c3c[c]c[nH]c3=O)cc2c1)CN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
AURKA O14965 3/20 0.43
CHEK1 O14757 12/20 0.41
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL15520713 0.99 KDR (0.47) KDRAURKACHEK1
SCHEMBL15520144 0.85 KDR (0.49) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL15520214 0.84 KDR (0.48) KDRAURKACHEK1
SCHEMBL15520809 0.82 KDR (0.41) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL15520142 0.82 KDR (0.49) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL15520143 0.81 KDR (0.45) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL15520211 0.81 KDR (0.48) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL15520726 0.81 KDR (0.38) KDRAURKAPDGFRBPDGFRA
SCHEMBL15520212 0.80 KDR (0.43) KDRAURKACHEK1PDGFRBPDGFRA
SCHEMBL15520113 0.77 CHEK1 (0.62) 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
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP claimed