SCHEMBL1908428

SCHEMBL1908428

COc1nc(OC)c2c(-c3ccccc3)c(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)oc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
UBE2N P61088 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TEK Q02763 2/20 0.33
KDR P35968 2/20 0.33
TNK2 Q07912 3/20 0.33
LCK P06239 1/20 0.33
AKT1 P31749 3/20 0.32
AKT2 P31751 3/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 2/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL1900820 0.88 MERTK (0.34) MERTKEGFRALDH1A1KDM4EHPGD
SCHEMBL1901153 0.87 LCK (0.35) MERTKEGFRALDH1A1KDM4EHPGD
SCHEMBL1898806 0.86 HSD17B10 (0.39) EGFRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1900099 0.85 LCK (0.35) MERTKEGFRKDRTNK2LCK
SCHEMBL1905018 0.82 EGFR (0.34) MERTKEGFRALDH1A1KDM4EHPGD
SCHEMBL1900571 0.80 EGFR (0.38) MERTKEGFRALDH1A1KDM4EHPGD
SCHEMBL1902664 0.80 AKT1 (0.45) ALDH1A1KDM4EHPGDUBE2NSMN1; SMN2
SCHEMBL1907310 0.78 KDM4E (0.31) EGFRALDH1A1KDM4EHPGDUBE2N
SCHEMBL1905294 0.77 AKT1 (0.32) MERTKTNK2LCKAKT1CHEK1
SCHEMBL1902949 0.77 AKT1 (0.36) MERTKEGFRALDH1A1KDRTNK2

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed