SCHEMBL13608643

SCHEMBL13608643

Clc1ccccc1CCc1nc2cc(-c3ccccc3)cnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
AXL P30530 2/20 0.40
CDK8 P49336 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PDE10A Q9Y233 4/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL13607867 0.85 PDE10A (0.40) LMNAKDM4EMAPTPDE10ACDK1
SCHEMBL13608657 0.84 CSNK2A2 (0.43) AXLCDK8LMNAMAPTPDE10A
SCHEMBL13607972 0.84 RAB9A (0.51) AXLCDK8LMNAMAPTPDE10A
SCHEMBL13608641 0.84 TUBB4A (0.49) AXLCDK8MAPTPDE10ACDK1
SCHEMBL13608646 0.83 MAPT (0.40) AXLLMNAKDM4EMAPTPDE10A
SCHEMBL13608625 0.83 PDGFRB (0.46) LMNAKDM4EMAPTPDE10ANOS3
SCHEMBL13608647 0.81 HIF1A (0.47) HIF1ACDK8LMNAMAPTPDE10A
SCHEMBL4054780 0.80 NOS3 (0.57) HIF1ALMNAPDE10APRKAG1PRKAA2
SCHEMBL13608709 0.79 RAB9A (0.52) HIF1AAXLCDK8LMNAKDM4E
SCHEMBL13608653 0.79 NTRK1 (0.46) AXLCDK8MAPTPDE10ACDK1

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed