SCHEMBL1084352

SCHEMBL1084352

Oc1ccccc1-c1nc(NCc2ccncc2)c2cc(F)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
RXFP1 Q9HBX9 1/20 0.64
PDE5A O76074 5/20 0.61
MAPT P10636 4/20 0.59
EGFR P00533 3/20 0.59
PKM P14618 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
USP1 O94782 4/20 0.52
WDR48 Q8TAF3 4/20 0.52
LMNA P02545 2/20 0.50
PTGS1 P23219 1/20 0.50
TBXAS1 P24557 1/20 0.50
PTGS2 P35354 1/20 0.50
HIF1A Q16665 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL1084370 0.84 PIP4K2C (0.54) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084137 0.83 MEN1 (0.56) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084660 0.83 MEN1 (0.54) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084659 0.80 MEN1 (0.51) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084665 0.80 MEN1 (0.52) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084699 0.79 MEN1 (0.50) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084679 0.79 MEN1 (0.54) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084266 0.79 MEN1 (0.53) MEN1KMT2ARXFP1MAPTNPSR1
SCHEMBL1084041 0.79 KMT2A (1.00) MEN1KMT2ARXFP1PDE5AMAPT
SCHEMBL1084016 0.79 MEN1 (0.50) 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