SCHEMBL8237265

SCHEMBL8237265

CC(C)(C)n1nc(-c2ccccc2)c2c(NCC3CCCC3)nccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.45
HIF1A Q16665 3/20 0.44
ADORA3 P0DMS8 1/20 0.40
SRC P12931 2/20 0.39
ABL1 P00519 1/20 0.39
VCP P55072 3/20 0.39
LRRK2 Q5S007 1/20 0.38
GBA1 P04062 1/20 0.38
PSMC4 P43686 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
APP P05067 1/20 0.36
USP30 Q70CQ3 1/20 0.36
GRM4 Q14833 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL8347614 0.84 LMNA (0.42) ADORA3SRCABL1VCPLRRK2
SCHEMBL5063566 0.83 VCP (0.58) HIF1ASRCABL1VCPPSMC4
SCHEMBL7003043 0.83 SRC (0.40) UTS2RHIF1AADORA3SRCABL1
SCHEMBL8369837 0.81 LRRK2 (0.41) UTS2RADORA3SRCABL1VCP
SCHEMBL7000781 0.74 SRC (0.41) UTS2RADORA3SRCABL1PDE4A
SCHEMBL7000322 0.67 SRC (0.44) ADORA3SRCABL1VCPPSMC4
SCHEMBL6997527 0.66 SRC (0.46) SRCABL1VCPPSMC4PDE4A
SCHEMBL7003040 0.66 SRC (0.41) SRCABL1VCPPSMC4PDE4A
SCHEMBL8347612 0.66 SRC (0.58) ADORA3SRCABL1VCPPSMC4
SCHEMBL7835545 0.66 ALDH1A1 (0.47) ADORA3VCPPSMC4

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
EP-1017823-A2 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES PRINCETON UNIVERSITY (US) 2000-07-12 EP disclosed
WO-1998035048-A2 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES PRINCETON UNIVERSITY (US) 1998-08-13 WO disclosed