SCHEMBL1084308

SCHEMBL1084308

Cc1nnc(CNc2nc(-c3ccccc3O)nc3ccc(F)cc23)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MAPT P10636 7/20 0.48
HIF1A Q16665 2/20 0.48
NPSR1 Q6W5P4 3/20 0.45
EGFR P00533 1/20 0.45
PKM P14618 1/20 0.45
PDE5A O76074 2/20 0.44
MAPK1 P28482 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
HCRTR1 O43613 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 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
SCHEMBL1084710 0.84 KMT2A (0.52) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084660 0.81 MEN1 (0.54) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084016 0.80 MEN1 (0.50) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084137 0.79 MEN1 (0.56) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084352 0.79 MEN1 (0.64) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084659 0.78 MEN1 (0.51) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084370 0.78 PIP4K2C (0.54) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084679 0.77 MEN1 (0.54) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084699 0.77 MEN1 (0.50) MEN1KMT2ARXFP1MAPTHIF1A
SCHEMBL1084266 0.77 MEN1 (0.53) MEN1KMT2ARXFP1MAPTNPSR1

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