SCHEMBL1084585

SCHEMBL1084585

CC(c1cccnc1)N(C)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 5/20 0.42
LATS2 Q9NRM7 4/20 0.42
MAPT P10636 4/20 0.41
EGFR P00533 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.38
GBA1 P04062 2/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE5A O76074 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CLK1 P49759 1/20 0.37
CHEK2 O96017 3/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1084627 0.91 MAPT (0.46) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL1083937 0.91 MAPT (0.46) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL1084714 0.89 MAPT (0.40) LATS1LATS2MAPTNPSR1TSHR
SCHEMBL1084641 0.83 LATS1 (0.43) LATS1LATS2MAPTEGFRPKM
SCHEMBL1084644 0.83 LATS1 (0.41) LATS1LATS2MAPTEGFRPKM
SCHEMBL1084580 0.82 MAPT (0.39) LATS1LATS2MAPTNPSR1TSHR
SCHEMBL1084542 0.80 MAPT (0.39) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL1084152 0.79 TSHR (0.53) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL1084728 0.78 MAPT (0.42) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL1084227 0.77 LATS1 (0.47) LATS1LATS2MAPTNPSR1TSHR

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