SCHEMBL1084404

SCHEMBL1084404

CCN(Cc1ccncc1)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
GAA P10253 2/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CASR P41180 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ACP1 P24666 1/20 0.38
LATS1 O95835 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
SCHEMBL1084271 0.84 MAPT (0.55) MAPTGAAHIF1ALMNAKDM4E
SCHEMBL1084047 0.83 LMNA (0.50) MAPTGAAHIF1ALMNAKDM4E
SCHEMBL1084684 0.83 MAPT (0.42) MAPTGAAHIF1ALMNAESR1
SCHEMBL1084146 0.82 PDE10A (0.47) MAPTGAAHIF1ALMNAKDM4E
SCHEMBL1084340 0.82 CASR (0.44) MAPTGAAHIF1ALMNAKDM4E
SCHEMBL1083973 0.82 MAPT (0.41) MAPTGAAHIF1ALMNAESR1
SCHEMBL1084609 0.82 MAPT (0.50) MAPTGAAHIF1ALMNAKDM4E
SCHEMBL1084209 0.81 LMNA (0.53) MAPTGAAHIF1ALMNAKDM4E
SCHEMBL1084261 0.80 PDE5A (0.47) MAPTLMNAKDM4EALDH1A1CASR
SCHEMBL1084823 0.80 TDP1 (0.46) MAPTGAAHIF1ALMNAKDM4E

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