SCHEMBL1084665

SCHEMBL1084665

Oc1ccccc1-c1nc(NCc2csc(-c3ccccc3)n2)c2cc(F)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PDE5A O76074 4/20 0.50
MAPT P10636 6/20 0.47
HIF1A Q16665 1/20 0.47
EGFR P00533 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 4/20 0.45
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 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
SCHEMBL1084504 0.84 MEN1 (0.53) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084016 0.82 MEN1 (0.50) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084370 0.81 PIP4K2C (0.54) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084352 0.80 MEN1 (0.64) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084256 0.79 MEN1 (0.52) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084137 0.79 MEN1 (0.56) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084660 0.78 MEN1 (0.54) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084679 0.77 MEN1 (0.54) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084659 0.75 MEN1 (0.51) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084298 0.75 MEN1 (0.47) MEN1KMT2ARXFP1PDE5AMAPT

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