SCHEMBL1084604

SCHEMBL1084604

CC(C)CN(CC(C)C)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
TSHR P16473 3/20 0.46
CASR P41180 2/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 3/20 0.41
HIF1A Q16665 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHEK2 O96017 2/20 0.39
NTRK1 P04629 1/20 0.38
ALK Q9UM73 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
SCHEMBL1084628 0.90 MAPT (0.46) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084271 0.83 MAPT (0.55) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084227 0.83 LATS1 (0.47) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084152 0.83 TSHR (0.53) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084047 0.82 LMNA (0.50) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084146 0.81 PDE10A (0.47) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084214 0.81 MAPT (0.56) MAPTTSHRCASRMEN1KMT2A
SCHEMBL27752674 0.81 MAPT (0.39) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1083937 0.81 MAPT (0.46) MAPTTSHRCASRMEN1KMT2A
SCHEMBL1084627 0.81 MAPT (0.46) MAPTTSHRCASRMEN1KMT2A

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 6 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-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