SCHEMBL1084641

SCHEMBL1084641

Cc1ccc2c(N(C)C(C)c3cccnc3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 6/20 0.43
LATS2 Q9NRM7 5/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.38
EGFR P00533 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GBA1 P04062 2/20 0.38
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
CHEK2 O96017 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1084781 0.90 MAPT (0.46) MAPTKMT2ANPSR1MEN1TSHR
SCHEMBL1084695 0.90 MAPT (0.46) MAPTKMT2ANPSR1MEN1TSHR
SCHEMBL1084644 0.89 LATS1 (0.41) LATS1LATS2MAPTKMT2AEGFR
SCHEMBL1084585 0.83 LATS1 (0.42) LATS1LATS2MAPTKMT2AEGFR
SCHEMBL1084429 0.82 KMT2A (0.39) LATS1MAPTKMT2ANPSR1MEN1
SCHEMBL1084773 0.81 MAPT (0.43) MAPTKMT2ANPSR1MEN1TSHR
SCHEMBL1084260 0.78 CYP2D6 (0.55) MAPTKMT2ANPSR1MEN1TSHR
SCHEMBL1084259 0.78 CHEK2 (0.38) LATS1LATS2MAPTKMT2AMEN1
SCHEMBL1084692 0.77 MAPT (0.42) MAPTKMT2ANPSR1MEN1TSHR
SCHEMBL1084701 0.76 LATS1 (0.49) LATS1LATS2MAPTKMT2ANPSR1

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