SCHEMBL1084072

SCHEMBL1084072

CN(CCC(O)c1ccccc1)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
MAPT P10636 6/20 0.40
CHEK2 O96017 4/20 0.39
CASR P41180 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TSHR P16473 4/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1084242 0.84 KMT2A (0.41) GBA1MAPTCHEK2MEN1KMT2A
SCHEMBL1084678 0.83 GBA1 (0.50) GBA1MAPTCHEK2CASRMEN1
SCHEMBL1084139 0.83 LMNA (0.47) GBA1MAPTCHEK2CASRMEN1
SCHEMBL1084772 0.83 MAPT (0.39) GBA1MAPTCHEK2MEN1KMT2A
SCHEMBL1083937 0.82 MAPT (0.46) MAPTCHEK2CASRMEN1KMT2A
SCHEMBL1084628 0.82 MAPT (0.46) GBA1MAPTCHEK2CASRMEN1
SCHEMBL1084627 0.82 MAPT (0.46) MAPTCHEK2CASRMEN1KMT2A
SCHEMBL1084130 0.82 GBA1 (0.42) GBA1MAPTCHEK2CASRMEN1
SCHEMBL1084152 0.80 TSHR (0.53) MAPTCHEK2CASRMEN1KMT2A
SCHEMBL1084261 0.80 PDE5A (0.47) GBA1MAPTCHEK2CASRMEN1

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