SCHEMBL1084684

SCHEMBL1084684

CCN(Cc1ccncc1)c1nc(-c2ccccc2O)nc2cc(C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
LATS1 O95835 2/20 0.41
LATS2 Q9NRM7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 6/20 0.39
ACP1 P24666 1/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GBA1 P04062 1/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1083973 0.89 MAPT (0.41) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084730 0.83 LMNA (0.46) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084404 0.83 MAPT (0.44) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084572 0.82 KMT2A (0.42) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084624 0.81 MAPT (0.46) MAPTGAAHIF1AKDM4EKMT2A
SCHEMBL1084369 0.81 MAPT (0.48) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1083979 0.80 LMNA (0.48) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084801 0.80 LMNA (0.58) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084708 0.79 KMT2A (0.41) MAPTGAAHIF1AKDM4EALDH1A1
SCHEMBL1084174 0.78 MAPT (0.44) MAPTGAAHIF1AKDM4EALDH1A1

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