SCHEMBL1084686

SCHEMBL1084686

CCOC(=O)C1CCN(C2CCN(c3nc(-c4ccccc4O)nc4ccc(F)cc34)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.47
CHEK2 O96017 5/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHEK1 O14757 2/20 0.43
SMAD3 P84022 1/20 0.43
SHMT2 P34897 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1084566 0.87 MAPT (0.54) MAPTTP53KDM4EPOLBCHEK2
SCHEMBL1084815 0.85 MAPT (0.53) MAPTTP53KDM4EPOLBCHEK2
SCHEMBL1084776 0.85 CHEK2 (0.52) MAPTTP53KDM4ECHEK2MEN1
SCHEMBL1083969 0.84 MAPT (0.71) MAPTTP53KDM4EPOLBCHEK2
SCHEMBL1084362 0.84 SMAD3 (0.51) MAPTKDM4ECHEK2MEN1KMT2A
SCHEMBL1084784 0.83 SMAD3 (0.58) MAPTKDM4ECHEK2MEN1KMT2A
SCHEMBL1084938 0.83 MAPT (0.53) MAPTTP53KDM4EPOLBCHEK2
SCHEMBL1084650 0.83 SMAD3 (0.57) MAPTKDM4ECHEK2MEN1KMT2A
SCHEMBL1084788 0.82 MEN1 (0.55) MAPTKDM4ECHEK2MEN1KMT2A
SCHEMBL1084681 0.81 CHEK2 (0.51) MAPTTP53KDM4ECHEK2MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed