SCHEMBL1084101

SCHEMBL1084101

CN(C)c1nc(-n2cccc2)nc2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.62
HRH4 Q9H3N8 1/20 0.62
PDE10A Q9Y233 11/20 0.48
CSF1R P07333 1/20 0.44
MAT2A P31153 2/20 0.43
PRMT5 O14744 1/20 0.43
PDE5A O76074 2/20 0.41
EGLN1 Q9GZT9 2/20 0.40

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
SCHEMBL1084394 0.89 HRH4 (0.49) HTR3AHRH4PDE10AMAT2APRMT5
SCHEMBL1084180 0.83 HTR3A (0.43) HTR3AHRH4EGLN1
SCHEMBL1084347 0.82 HTR3A (0.65) HTR3AHRH4PDE10ACSF1RMAT2A
SCHEMBL938725 0.81 CSF1R (0.46) HTR3AHRH4CSF1RPDE5AEGLN1
SCHEMBL1083951 0.80 SMN1; SMN2 (0.53) PDE5AEGLN1
SCHEMBL15538645 0.77 HTR3A (0.57) HTR3AHRH4PDE10ACSF1RMAT2A
SCHEMBL715586 0.74 PDE5A (0.57) HTR3AHRH4CSF1RPDE5A
SCHEMBL1083797 0.69 CYP1A2 (0.51) HTR3AHRH4PDE10ACSF1RMAT2A
SCHEMBL1084188 0.69 CYP1A2 (0.50) HTR3AHRH4PDE10ACSF1R
SCHEMBL937891 0.68 HTR3A (0.43) HTR3AHRH4CSF1RPDE5AEGLN1

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