SCHEMBL13045264

SCHEMBL13045264

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cnc4ncc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)cc4c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TDP2 O95551 1/20 0.40
CLK4 Q9HAZ1 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
PDGFRB P09619 2/20 0.39
PDGFRA P16234 1/20 0.39
PDK2 Q15119 1/20 0.39
AXL P30530 1/20 0.39
CDK8 P49336 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL13045263 0.93 TDP2 (0.39) KDM4ETDP2PDK2
SCHEMBL13045262 0.91 PDK2 (0.39) TDP2PDK2
SCHEMBL80774 0.87 KDM4E (0.37) KDM4ETDP2CLK4GSK3BDYRK1A
SCHEMBL14184290 0.85 SMN1; SMN2 (0.44) TDP2PDGFRBPDGFRAPDK2MAP4K4
SCHEMBL12910375 0.80 DAGLA (0.38) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12910386 0.80 KDM4E (0.36) KDM4ETDP2NPC1RAB9ASMN1; SMN2
SCHEMBL13388812 0.80 HSD17B1 (0.46) PDK2AXLCDK8CYP11B1CYP11B2
SCHEMBL22414232 0.80 MEN1 (0.47) KDM4ETDP2PDK2MAPT
SCHEMBL13889562 0.80 PDK2 (0.44) KDM4ETDP2PDK2NPC1RAB9A
SCHEMBL16716650 0.80 MEN1 (0.47) KDM4ETDP2PDK2MAPT

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-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 US disclosed
US-7833634-B2 1,8-naphthyridine compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2010-11-16 US disclosed