SCHEMBL15958633

SCHEMBL15958633

COc1cccc(Nc2nc3ccccc3nc2OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 2/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ABCG2 Q9UNQ0 7/20 0.59
DYRK3 O43781 1/20 0.59
MAP4K4 O95819 1/20 0.59
EGFR P00533 1/20 0.59
PDGFRA P16234 1/20 0.59
LTK P29376 1/20 0.59
GRK5 P34947 1/20 0.59
KDR P35968 1/20 0.59
MAPK8 P45983 1/20 0.59
CDK8 P49336 1/20 0.59
CDK7 P50613 1/20 0.59
IRAK1 P51617 1/20 0.59
NEK4 P51957 1/20 0.59
LIMK1 P53667 1/20 0.59
ACVR1 Q04771 1/20 0.59

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
SCHEMBL13595045 0.88 ABCG2 (0.56) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL12669922 0.88 KDM4E (0.55) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL8224937 0.84 MAPT (0.55) MAPTKDM4EALDH1A1ABCG2EGFR
SCHEMBL2301864 0.84 KDM4E (0.59) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL15958634 0.83 MAPT (0.72) MAPTKDM4EALDH1A1L3MBTL1ABCG2
SCHEMBL7691978 0.83 ABCG2 (0.59) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4016340 0.81 ABCG2 (0.65) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL2302678 0.80 MAPT (0.69) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4018542 0.78 ABCG2 (0.55) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL189161 0.77 MEN1 (0.72) MAPTKDM4EHPGDALDH1A1MEN1

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
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed