SCHEMBL30155310

SCHEMBL30155310

Nc1ncnc2c1c(I)cn2C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.64
LCK P06239 4/20 0.64
RET P07949 3/20 0.64
KDR P35968 3/20 0.64
CSF1R P07333 2/20 0.64
IGF1R P08069 2/20 0.64
FGFR1 P11362 2/20 0.64
FLT1 P17948 2/20 0.64
FLT3 P36888 2/20 0.64
MST1R Q04912 2/20 0.64
NTRK3 Q16288 2/20 0.64
NTRK2 Q16620 2/20 0.64
ALK Q9UM73 2/20 0.64
FYN P06241 2/20 0.64
DAPK3 O43293 1/20 0.64
MAP4K4 O95819 1/20 0.64
PAK4 O96013 1/20 0.64
PRKACA P17612 1/20 0.64
LTK P29376 1/20 0.64
MAP2K2 P36507 1/20 0.64

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
SCHEMBL1940882 1.00 ABL1 (0.64) ABL1LCKRETKDRCSF1R
SCHEMBL17818397 0.98 ABL1 (0.63) ABL1LCKRETKDRCSF1R
SCHEMBL400626 0.97 SRC (0.61) ABL1LCKRETKDRCSF1R
SCHEMBL29484468 0.97 SRC (0.61) ABL1LCKRETKDRCSF1R
SCHEMBL16237288 0.94 SRC (0.59) ABL1LCKRETKDRCSF1R
SCHEMBL1933264 0.88 RIPK2 (0.63) ABL1LCKRETKDRCSF1R
SCHEMBL1933267 0.88 RIPK2 (0.63) ABL1LCKRETKDRCSF1R
SCHEMBL9950847 0.87 ADK (0.62) ABL1LCKRETKDRCSF1R
SCHEMBL9950846 0.87 ADK (0.62) ABL1LCKRETKDRCSF1R
SCHEMBL19743649 0.87 FGR (0.57) ABL1LCKRETKDRCSF1R

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-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 WO disclosed