SCHEMBL30559809

SCHEMBL30559809

FC(F)(F)CNc1nccc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.44
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
SYK P43405 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
RPS6KA3 P51812 1/20 0.41
TYRO3 Q06418 1/20 0.41
TNK2 Q07912 1/20 0.41

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
SCHEMBL17389142 0.77 CHEK1 (0.45) PIM1ROCK1DRD1LMNAPOLB
SCHEMBL17433048 0.77 ALDH1A1 (0.59) JAK2ABL1PIM1CDK8GSK3A
SCHEMBL29829135 0.71 POLB (0.68) MAPK1LMNAPOLBCYP1A2ALDH1A1
SCHEMBL17017090 0.71 POLB (0.68) MAPK1LMNAPOLBCYP1A2ALDH1A1
SCHEMBL29363298 0.70 POLB (0.50) MAPK8GSK3AROCK1MAPK1LMNA
SCHEMBL16655562 0.70 POLB (0.50) MAPK8GSK3AROCK1MAPK1LMNA
SCHEMBL15266863 0.69 LRRK2 (0.56) PIM1DYRK1AMAPK1
SCHEMBL28701478 0.68 MAPT (0.50) ROCK1LMNAPOLBCYP1A2SLC29A1
SCHEMBL13006154 0.68 ALDH1A1 (0.39) DRD1PIK3CALMNAPOLBTDO2
SCHEMBL29366544 0.68 MAPT (0.50) ROCK1LMNAPOLBCYP1A2SLC29A1

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-2023160652-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 苏州亚宝药物研发有限公司 2023-08-31 WO disclosed