SCHEMBL1084644

SCHEMBL1084644

CC(c1cccnc1)N(C)c1nc(-c2ccccc2O)nc2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 5/20 0.41
LATS2 Q9NRM7 4/20 0.40
MAPT P10636 4/20 0.39
EGFR P00533 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GBA1 P04062 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHEK2 O96017 1/20 0.37
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
CYP2C9 P11712 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALK Q9UM73 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
SCHEMBL1084641 0.89 LATS1 (0.43) LATS1LATS2MAPTEGFRPKM
SCHEMBL1084259 0.89 CHEK2 (0.38) LATS1LATS2MAPTCHEK2TSHR
SCHEMBL1084585 0.83 LATS1 (0.42) LATS1LATS2MAPTEGFRPKM
SCHEMBL1084278 0.81 MAPT (0.43) MAPTALDH1A1CHEK2TSHRKMT2A
SCHEMBL1084262 0.79 CYP2D6 (0.50) MAPTALDH1A1CHEK2TSHRKMT2A
SCHEMBL1084695 0.79 MAPT (0.46) MAPTNPSR1ALDH1A1CHEK2TSHR
SCHEMBL1084781 0.79 MAPT (0.46) MAPTNPSR1ALDH1A1CHEK2TSHR
SCHEMBL1084900 0.78 MAPT (0.41) MAPTNPSR1CHEK2TSHRKMT2A
SCHEMBL1084680 0.77 ALK (0.39) LATS1LATS2MAPTCHEK2TSHR
SCHEMBL1084482 0.77 TSHR (0.43) MAPTGBA1ALDH1A1CHEK2TSHR

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