SCHEMBL17074444

SCHEMBL17074444

O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)Oc1cccn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.80
MET P08581 8/20 0.48
AXL P30530 2/20 0.46
RIPK3 Q9Y572 4/20 0.43
RIPK1 Q13546 3/20 0.42
LCK P06239 1/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
RIPK2 O43353 2/20 0.41
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40

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
SCHEMBL2483272 0.89 AURKA (1.00) AURKAMETAXLRIPK3RIPK1
SCHEMBL2483645 0.76 AURKA (1.00) AURKAMETAXLRIPK3RIPK1
SCHEMBL12786959 0.75 AURKA (0.76) AURKAMETAXLRIPK3RIPK1
SCHEMBL16817176 0.74 AXL (0.47) AURKAMETAXLRIPK3RIPK1
SCHEMBL3473983 0.71 AURKA (0.76) AURKAMETAXLMERTK
SCHEMBL2482445 0.70 AURKA (1.00) AURKA
SCHEMBL15189738 0.70 MST1R (0.56) METAXLRIPK3RIPK1LCK
SCHEMBL14018080 0.69 MET (0.80) AURKAMETAXLRIPK3RIPK1
SCHEMBL12786965 0.68 AURKA (0.62) AURKAMETAXLRIPK3RIPK1
SCHEMBL15189718 0.67 MET (0.51) METAXLRIPK3RIPK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367821-B1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2015-09-16 EP claimed