SCHEMBL1083858

SCHEMBL1083858

OCCNc1nc(-c2ccccc2O)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.71
KMT2A Q03164 11/20 0.71
RXFP1 Q9HBX9 1/20 0.71
MAPK1 P28482 2/20 0.68
MAPT P10636 7/20 0.64
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
POLB P06746 3/20 0.64
HIF1A Q16665 2/20 0.64
PTK2B Q14289 1/20 0.64
EGFR P00533 1/20 0.61
PKM P14618 1/20 0.61
GBA1 P04062 1/20 0.61
GAA P10253 2/20 0.60
ALK Q9UM73 2/20 0.60
NTRK1 P04629 1/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
HCRTR1 O43613 1/20 0.58

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
SCHEMBL3917004 0.88 MEN1 (0.70) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL16404321 0.87 MAPK1 (0.82) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL4498282 0.86 MEN1 (0.68) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL1083842 0.85 MEN1 (0.67) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL4515707 0.84 TLR9 (0.67) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL1084041 0.83 KMT2A (1.00) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL3907112 0.83 MEN1 (0.64) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL4509057 0.82 CYP1A2 (0.79) MEN1KMT2ARXFP1MAPTLMNA
SCHEMBL3914712 0.82 MEN1 (0.62) MEN1KMT2ARXFP1MAPK1MAPT
SCHEMBL1083993 0.81 GBA1 (0.64) MEN1KMT2ARXFP1MAPK1MAPT

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