SCHEMBL7224206

SCHEMBL7224206

O=C(O)c1ccc(Nc2nc(=O)c3ccccc3n2Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
TBXA2R P21731 1/20 0.50
P2RX4 Q99571 1/20 0.48
P2RX3 P56373 7/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
FOLH1 Q04609 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ATM Q13315 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC10 Q969S8 1/20 0.44
PTGER4 P35408 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7217250 0.88 L3MBTL1 (0.49) P2RX4P2RX3FOLH1MAPTKDM4E
SCHEMBL7218561 0.84 MEN1 (0.47) ATMMAPTRXFP1KDM4EPTGER4
SCHEMBL7224007 0.82 EGFR (0.50) HDAC6ATMMAPTKDM4EPTGER4
SCHEMBL11840599 0.77 P2RX4 (0.58) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL7217228 0.76 P2RX4 (0.50) P2RX4HDAC1HDAC6HDAC11HDAC8
SCHEMBL11843160 0.76 PCSK9 (0.54) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL18271771 0.74 HDAC6 (0.66) DRD2TBXA2RHDAC1HDAC6HDAC11
SCHEMBL5443426 0.74 P2RX4 (0.71) P2RX4HDAC1HDAC6FOLH1HDAC11
SCHEMBL12938904 0.74 HDAC6 (0.69) P2RX4HDAC1HDAC6FOLH1HDAC11
SCHEMBL7224196 0.73 CDH1 (0.52) RXFP1KDM4EPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525061-B1 Combinatorial libraries for drug discovery;4-((6-bromo-4-oxo-1,4-dihydroquinazolin-2-yl)amino)b enzoic acid, WYETH 2003-02-25 US claimed
US-6525061-B1 Combinatorial libraries for drug discovery;4-((6-bromo-4-oxo-1,4-dihydroquinazolin-2-yl)amino)b enzoic acid, WYETH 2003-02-25 US disclosed