SCHEMBL1084729

SCHEMBL1084729

Cc1ccc2c(N3CCC(NC(=O)OCCN4CCOCC4)CC3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PTK2B Q14289 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MTOR P42345 1/20 0.42
PIK3CD O00329 7/20 0.41
PIK3CG P48736 7/20 0.41
PIK3CB P42338 6/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL1084982 0.89 CNR1 (0.48) MAPTMEN1KMT2AHIF1AL3MBTL1
SCHEMBL12721403 0.87 CHEK2 (0.41) MAPTMEN1KMT2AHIF1APIK3CA
SCHEMBL1084495 0.86 KMT2A (0.48) MAPTMEN1KMT2AHIF1AL3MBTL1
SCHEMBL937815 0.86 KMT2A (0.43) MAPTMEN1KMT2AHIF1ANPSR1
SCHEMBL2603696 0.85 CHEK2 (0.47) MAPTMEN1KMT2ALMNAHIF1A
SCHEMBL1084639 0.85 MEN1 (0.43) MAPTMEN1KMT2AHIF1AL3MBTL1
SCHEMBL12721375 0.85 MAPT (0.45) MAPTMEN1KMT2ALMNAHIF1A
SCHEMBL183831 0.84 CHEK2 (0.46) MAPTMEN1KMT2AHIF1AL3MBTL1
SCHEMBL12721384 0.84 MEN1 (0.42) MAPTMEN1KMT2AHIF1APIK3CA
SCHEMBL183828 0.84 CHEK2 (0.46) MAPTMEN1KMT2AHIF1AL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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