SCHEMBL15520726

SCHEMBL15520726

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.38
HSD17B10 Q99714 7/20 0.34
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
ALOX15 P16050 1/20 0.34
AURKA O14965 7/20 0.33
MAPT P10636 1/20 0.31
ESR2 Q92731 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL15520809 0.90 KDR (0.41) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL15520317 0.84 KDR (0.39) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL15520713 0.81 KDR (0.47) KDRAURKA
SCHEMBL15520315 0.81 KDR (0.40) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL15520463 0.81 KDR (0.49) KDRAURKAPDGFRBPDGFRA
SCHEMBL15520316 0.80 KDR (0.36) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL15520664 0.80 KDR (0.37) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL15520652 0.79 KDR (0.39) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL4020830 0.74 KDR (0.42) KDRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL4020825 0.72 KDR (0.42) KDRHSD17B10KDM4EALDH1A1HPGD

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