SCHEMBL1084259

SCHEMBL1084259

CC(c1ccncc1)N(C)c1nc(-c2ccccc2O)nc2cc(Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.38
LATS1 O95835 8/20 0.38
MAPT P10636 3/20 0.38
ALK Q9UM73 1/20 0.38
LATS2 Q9NRM7 7/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
ADORA2A P29274 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL1084644 0.89 LATS1 (0.41) CHEK2LATS1MAPTALKLATS2
SCHEMBL1084278 0.82 MAPT (0.43) CHEK2MAPTALKTSHRKMT2A
SCHEMBL1084714 0.82 MAPT (0.40) CHEK2LATS1MAPTLATS2TSHR
SCHEMBL1084262 0.81 CYP2D6 (0.50) CHEK2MAPTALKTSHRKMT2A
SCHEMBL1084695 0.81 MAPT (0.46) CHEK2MAPTTSHRKMT2AMEN1
SCHEMBL1084781 0.81 MAPT (0.46) CHEK2MAPTTSHRKMT2AMEN1
SCHEMBL1084482 0.79 TSHR (0.43) CHEK2MAPTALKTSHRKMT2A
SCHEMBL1084641 0.78 LATS1 (0.43) CHEK2LATS1MAPTLATS2TSHR
SCHEMBL1084522 0.77 TSHR (0.43) CHEK2MAPTALKTSHRKMT2A
SCHEMBL1083973 0.77 MAPT (0.41) CHEK2LATS1MAPTALKLATS2

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 7 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