SCHEMBL22308341

SCHEMBL22308341

O=C1CNC(c2ccc(Br)cc2)=NN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
POLB P06746 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TDP2 O95551 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
AXL P30530 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
IGF1R P08069 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL4215079 0.84 MAOB (0.43) MAPTPOLBGAALMNAKCNH2
SCHEMBL7355155 0.83 KCNH2 (0.44) MAPTPOLBGAALMNAPDE3B
SCHEMBL4361638 0.83 AXL (0.52) MAPTGAAPDE3BPDE3AKCNH2
SCHEMBL22309145 0.80 PDE3B (0.42) PDE3BPDE3A
SCHEMBL10803822 0.80 KDM4E (0.41) TDP2IGF1RKDM4ENPC1RAB9A
SCHEMBL10799782 0.80 NOTUM (0.40) PDE3BPDE3AKMT2AMEN1CCNB2
SCHEMBL10802190 0.78 MAPT (0.42) MAPTGAALMNASMN1; SMN2KMT2A
SCHEMBL4211464 0.76 PDE3B (0.51) MAPTPOLBGAAPDE3BPDE3A
SCHEMBL10803746 0.76 NISCH (0.58) MAPTPOLBGAAPDE3BPDE3A
SCHEMBL22308851 0.74 PDE3B (0.54) MAPTLMNAPDE3BPDE3AKMT2A

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
WO-2020157189-A1 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed