SCHEMBL1084504

SCHEMBL1084504

Cc1ccc2c(NCc3csc(-c4ccccc4)n3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 6/20 0.48
HIF1A Q16665 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
EGFR P00533 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 5/20 0.43
USP2 O75604 4/20 0.43
CLK4 Q9HAZ1 3/20 0.43
HSD17B10 Q99714 2/20 0.43
PDE5A O76074 2/20 0.43
TSHR P16473 4/20 0.42
LMNA P02545 5/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL1084665 0.84 MEN1 (0.52) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084767 0.82 MEN1 (0.52) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084215 0.80 PIP4K2C (0.57) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084241 0.79 MEN1 (0.53) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084486 0.76 MEN1 (0.54) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084416 0.76 MEN1 (0.54) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084789 0.75 KMT2A (0.52) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL4519746 0.75 KMT2A (0.52) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084710 0.75 KMT2A (0.52) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084297 0.74 KMT2A (0.51) MEN1KMT2ARXFP1MAPTHIF1A

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