SCHEMBL1084574

SCHEMBL1084574

CN(Cc1cccs1)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ADRB2 P07550 1/20 0.50
LMNA P02545 8/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 9/20 0.41
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CYP2D6 P10635 8/20 0.41
CLK4 Q9HAZ1 6/20 0.41
CYP2C19 P33261 6/20 0.41
USP2 O75604 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GBA1 P04062 2/20 0.40
ALOX15 P16050 3/20 0.40
CHEK2 O96017 2/20 0.40

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
SCHEMBL1084261 0.84 PDE5A (0.47) MAPTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL1084534 0.83 PDE5A (0.40) MAPTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL1084491 0.83 MAPT (0.51) MAPTADRB2LMNAHPGDALDH1A1
SCHEMBL1084589 0.82 CLK4 (0.41) MAPTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL1084531 0.82 CLK4 (0.41) MAPTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL1084073 0.81 GBA1 (0.50) MAPTLMNAHPGDL3MBTL1TSHR
SCHEMBL1084201 0.80 TSHR (0.44) MAPTLMNAALDH1A1L3MBTL1TSHR
SCHEMBL1084152 0.80 TSHR (0.53) MAPTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL1084628 0.80 MAPT (0.46) MAPTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL1084139 0.79 LMNA (0.47) MAPTLMNAHPGDALDH1A1L3MBTL1

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