SCHEMBL7976876

SCHEMBL7976876

CCOC(=O)c1ccccc1-c1ccc2nc[nH]c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.58
ACVR1 Q04771 7/20 0.53
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
ALK Q9UM73 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PARP1 P09874 1/20 0.47
SLC2A1 P11166 1/20 0.46
PIK3CD O00329 1/20 0.46
METAP2 P50579 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IP6K1 Q92551 2/20 0.45
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
ERN1 O75460 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL2116665 0.78 SLC2A1 (0.66) KMT2AATMKDM4EALDH1A1HPGD
SCHEMBL6869826 0.77 CLK1 (0.56) TGFBR1ACVR1KDM4EALDH1A1HPGD
SCHEMBL28036066 0.75 ACVR1 (0.64) TGFBR1ACVR1PARP1IP6K1IP6K3
SCHEMBL21083337 0.74 TGFBR1 (1.00) TGFBR1ACVR1PARP1IP6K1IP6K3
SCHEMBL27686802 0.73 TSHR (0.65) KMT2AATMKDM4EALDH1A1HPGD
SCHEMBL3740005 0.72 ACVR1 (0.74) TGFBR1ACVR1PARP1IP6K1IP6K3
SCHEMBL7980737 0.72 ACVR1 (0.67) TGFBR1ACVR1PARP1PIK3CDIP6K1
SCHEMBL4367861 0.72 CLK4 (0.55) ALDH1A1HPGDMAPK1
SCHEMBL8622180 0.72 ACVR1 (0.73) ACVR1PARP1SLC2A1IP6K1IP6K3
SCHEMBL9272871 0.71 ACVR1 (0.56) TGFBR1ACVR1PARP1IP6K1IP6K3

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-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed