SCHEMBL25760437

SCHEMBL25760437

CC(C)c1ccc2c3ccccc3c3c(ncn3C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.40
CHUK O15111 5/20 0.40
KIF11 P52732 1/20 0.40
PDE4D Q08499 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
NR3C1 P04150 1/20 0.33
KDM1A O60341 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32

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
SCHEMBL25760406 0.92 IKBKB (0.37) IKBKBCHUKKIF11PDE4DPDE4A
SCHEMBL20127221 0.81 PDE4D (0.48) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL21759625 0.70 PDE4A (0.37) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL21481187 0.70 IKBKB (0.35) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL21390275 0.70 LIMK1 (0.44) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL18012098 0.69 PDE4A (0.55) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL22946772 0.69 KIF11 (0.44) KIF11PDE4DPDE4APDE4BPDE4C
SCHEMBL24131032 0.68 IKBKB (0.37) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL21157964 0.67 PDE4A (0.36) IKBKBCHUKPDE4DPDE4APDE4B
SCHEMBL19338547 0.67 KIF11 (0.52) KIF11RORARORCRORBKDM1A

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-3762980-B1 ORGANIC FIELD EFFECT TRANSISTOR COMPRISING SEMICONDUCTING SINGLE-WALLED CARBON NANOTUBES AND ORGANIC SEMICONDUCTING MATERIAL CLAP CO LTD (KR) 2023-08-09 EP disclosed
US-11690236-B2 Patterning method for preparing top-gate, bottom-contact organic field effect transistors CLAP CO., LTD. (KR) 2023-06-27 US disclosed