SCHEMBL1083757

SCHEMBL1083757

Fc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1F

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.80
HPGD P15428 2/20 0.80
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
TSHR P16473 2/20 0.80
MAPK1 P28482 2/20 0.80
KDM4E B2RXH2 1/20 0.80
CYP2C19 P33261 1/20 0.80
HSD17B10 Q99714 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
ABCG2 Q9UNQ0 11/20 0.77
LMNA P02545 2/20 0.77
USP2 O75604 2/20 0.73
ALDH1A1 P00352 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
HTT P42858 1/20 0.69
ABCB1 P08183 2/20 0.68
PDE5A O76074 2/20 0.66
KDM1A O60341 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL14474500 0.91 MAPT (0.67) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14474809 0.90 MAPT (0.65) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL15986596 0.89 CYP1A2 (0.78) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14474816 0.89 MAPT (0.63) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14474566 0.89 MAPT (0.63) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14474851 0.89 MAPT (0.63) MAPTHPGDCYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL15966650 0.88 CYP1A2 (0.76) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14474890 0.88 MAPT (0.65) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14475442 0.88 ABCG2 (0.63) MAPTHPGDCYP1A2CYP3A4TSHR
SCHEMBL14474007 0.88 MAPT (0.61) MAPTHPGDCYP1A2CYP3A4TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO 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-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