SCHEMBL3686748

SCHEMBL3686748

O=C(O)Oc1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GUSB P08236 1/20 0.36
ALPL P05186 2/20 0.35
MARS1 P56192 5/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
CNR1 P21554 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL3676712 0.86 KDM4E (0.44) KDM4ETNKSPARP1TNKS2ALDH1A1
SCHEMBL1514029 0.83 KDM4E (0.46) KDM4EALPLMARS1
SCHEMBL12762527 0.82 KDM4E (0.48) KDM4EGUSBALPLMARS1TNKS
SCHEMBL1514005 0.80 KDM4E (0.46) KDM4EGUSBALPLMARS1TNKS
SCHEMBL1513942 0.79 KDM4E (0.47) KDM4EGUSBALPLMARS1TNKS
SCHEMBL3687396 0.79 KDM4E (0.55) KDM4EGUSBTNKSPARP1TNKS2
SCHEMBL1514119 0.77 KDM4E (0.47) KDM4EGUSBTNKSPARP1TNKS2
SCHEMBL1513997 0.77 KDM4E (0.46) KDM4EMAPT
SCHEMBL8147226 0.70 CYP2A13 (0.44) KDM4EALPLTNKSALDH1A1MAPT
SCHEMBL12552085 0.68 KDM4E (0.54) KDM4EGUSBTNKSALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
EP-2176264-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE Bayer Schering Pharma AG (DE) 2010-04-21 EP disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed