SCHEMBL23733085

SCHEMBL23733085

C[C@H]1C[C@@H](n2cc(I)c3c(N)ncnc32)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
ADK P55263 12/20 0.56
HASPIN Q8TF76 1/20 0.47
ABL1 P00519 4/20 0.47
EGFR P00533 3/20 0.47
ABL2 P42684 3/20 0.47
SRC P12931 3/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45

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
SCHEMBL1441782 0.86 MTOR (0.57) MTORRAB9AADKHASPINABL1
SCHEMBL16237288 0.85 SRC (0.59) MTORRAB9AADKABL1EGFR
SCHEMBL13721084 0.83 MTOR (0.55) MTORRAB9AADKHASPINABL1
SCHEMBL1933032 0.83 MTOR (0.55) MTORRAB9AADKHASPINABL1
SCHEMBL4659181 0.83 ADK (0.56) MTORRAB9AADK
SCHEMBL23733113 0.83 ADK (0.56) MTORRAB9AADK
SCHEMBL24650664 0.83 MTOR (0.54) MTORRAB9AADKHASPINABL1
SCHEMBL1940882 0.82 ABL1 (0.64) MTORRAB9AADKABL1EGFR
SCHEMBL400626 0.82 SRC (0.61) MTORRAB9AADKABL1EGFR
SCHEMBL29484468 0.82 SRC (0.61) MTORRAB9AADKABL1EGFR

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-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed