SCHEMBL1084351

SCHEMBL1084351

CN(C)c1nc(N2CCCCC2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.63
GAA P10253 5/20 0.63
HPGD P15428 4/20 0.63
HSD17B10 Q99714 3/20 0.63
GLA P06280 2/20 0.63
TSHR P16473 1/20 0.63
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.60
ALOX15 P16050 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTR3A P46098 2/20 0.51
HRH4 Q9H3N8 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL1084907 0.85 KDM4E (0.63) GAAHPGDHSD17B10GLATSHR
SCHEMBL3947318 0.84 HTR3A (0.49) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL3640157 0.84 PDE5A (0.56) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL3947597 0.81 PDE10A (0.51) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL3641988 0.80 L3MBTL1 (0.57) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL14393692 0.80 L3MBTL1 (0.69) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL3938295 0.79 PDE10A (0.48) GAAHPGDHSD17B10GLATSHR
SCHEMBL13342366 0.79 PDE10A (0.62) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL8379657 0.78 ACP1 (0.54) L3MBTL1GAAHPGDHSD17B10GLA
SCHEMBL1084304 0.78 CYP2D6 (0.59) L3MBTL1HPGDHSD17B10GLATSHR

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