SCHEMBL4718015

SCHEMBL4718015

CCOC(=O)c1ccc2c(Br)n[nH]c(=O)c2c1.CCOC(=O)c1ccc2c(Br)nn(C(C)C)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.49
KDM4E B2RXH2 5/20 0.43
POLB P06746 3/20 0.40
RAB9A P51151 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
MAT2A P31153 1/20 0.38
TSHR P16473 1/20 0.38
HCRTR1 O43613 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4065544 0.91 SYK (0.48) SYKKDM4EPOLBRAB9AL3MBTL1
SCHEMBL4058183 0.86 KDM4E (0.55) KDM4EPOLBRAB9AL3MBTL1ALDH1A1
SCHEMBL4717608 0.84 SYK (0.47) SYKKDM4EPOLBRAB9AALDH1A1
SCHEMBL16110691 0.73 KDM4E (0.55) KDM4EPOLBRAB9AL3MBTL1ALDH1A1
SCHEMBL8684224 0.72 KDM4E (0.58) KDM4EPOLBRAB9AL3MBTL1ALDH1A1
SCHEMBL16110055 0.70 KDM4E (0.58) KDM4EPOLBRAB9AL3MBTL1ALDH1A1
SCHEMBL4063418 0.68 SYK (0.53) SYKKDM4EPOLBALDH1A1HSD17B10
SCHEMBL14869429 0.67 CA12 (0.47) KDM4EPOLBRAB9AL3MBTL1ALDH1A1
SCHEMBL4059538 0.66 SYK (0.43) SYKPOLBALDH1A1SMN1; SMN2
SCHEMBL16110057 0.66 KDM4E (0.61) KDM4EPOLBRAB9AL3MBTL1ALDH1A1

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
EP-1999127-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-10 EP disclosed
WO-2007107298-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed