SCHEMBL3530485

SCHEMBL3530485

N#Cc1cc(N)ccc1NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
HDAC1 Q13547 6/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.46
GRIK1 P39086 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL11508737 0.91 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL28581272 0.85 MEN1 (0.60) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9454022 0.82 MAPT (0.61) MAPTKMT2AMEN1HDAC1HDAC2
SCHEMBL18154023 0.82 HDAC1 (0.62) MAPTKMT2AMEN1HDAC1HDAC2
SCHEMBL13102688 0.82 KCNMA1 (0.60) MAPTKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL8813142 0.82 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1343798 0.81 KDM4E (0.63) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL6811570 0.81 TDP1 (0.48) MAPTKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL16592491 0.81 MAOB (0.67) MAPTHDAC1HDAC3HDAC2KDM4E
SCHEMBL11739899 0.80 GPR35 (0.47) MAPTCYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed