SCHEMBL5655538

SCHEMBL5655538

Cc1cc(N)cnc1OCc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
PIN1 Q13526 1/20 0.49
MPO P05164 1/20 0.48
MAOB P27338 3/20 0.48
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
GRM5 P41594 3/20 0.47
DHFR P00374 2/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
FFAR1 O14842 1/20 0.45
HTR6 P50406 1/20 0.45
DCPS Q96C86 1/20 0.44
MAPT P10636 1/20 0.44
ENPP2 Q13822 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
SCHEMBL5649684 0.84 CYP17A1 (0.43) MPOMAOBIDO1AGXTDHFR
SCHEMBL5648620 0.84 L3MBTL1 (0.47) HPGDPIN1MPOMAOBCYP3A4
SCHEMBL5652395 0.78 PIN1 (0.45) KDM4EPIN1MPOMAOBAGXT
SCHEMBL5651640 0.75 MAOB (0.49) MPOMAOBIDO1AGXTMAPT
SCHEMBL5026708 0.75 CYP3A4 (0.51) PIN1MPOMAOBCYP3A4IDO1
SCHEMBL1577872 0.74 MAOB (0.60) MAOBCYP3A4IDO1AGXTGRM5
SCHEMBL6286452 0.72 PIN1 (0.52) KDM4EHPGDPIN1MPOMAOB
SCHEMBL7539477 0.71 SYK (0.49)
SCHEMBL24316986 0.71 KDM4E (0.50) KDM4EHPGDMAOBCYP3A4GRM5
SCHEMBL5653373 0.71 ALOX5AP (0.39) MPOMAOBDHFRFFAR1DCPS

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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed