SCHEMBL1084572

SCHEMBL1084572

Cc1ccc2c(N(CCO)Cc3ccccc3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHEK2 O96017 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 5/20 0.38

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
SCHEMBL1084730 0.88 LMNA (0.46) KMT2ATP53MEN1MAPTALDH1A1
SCHEMBL1084467 0.87 MAPT (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1084684 0.82 MAPT (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1084340 0.82 CASR (0.44) KMT2AMEN1RXFP1MAPTALDH1A1
SCHEMBL1083979 0.81 LMNA (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1084664 0.81 GBA1 (0.49) KMT2AMEN1RXFP1MAPTALDH1A1
SCHEMBL1084578 0.81 KMT2A (0.41) KMT2AMEN1RXFP1MAPTALDH1A1
SCHEMBL1084801 0.81 LMNA (0.58) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1084537 0.80 EGFR (0.42) KMT2ATP53MAPTALDH1A1LMNA
SCHEMBL1083959 0.79 MAPT (0.55) KMT2AMEN1RXFP1MAPTLMNA

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