SCHEMBL30120727

SCHEMBL30120727

CN1CCCC(n2cc(I)c3c(N)ncnc32)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
DAPK3 O43293 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48
MAP2K2 P36507 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK8 P45983 1/20 0.48
CSNK1A1 P48729 1/20 0.48

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
SCHEMBL16236082 1.00 ABL1 (0.48) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL16236916 0.93 MTOR (0.50) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL24650664 0.87 MTOR (0.54) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL24651203 0.86 ABL1 (0.49) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL16236759 0.85 ADK (0.47) ABL1DAPK3MAP4K4PAK4LCK
SCHEMBL19743546 0.85 MTOR (0.52) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL1940882 0.84 ABL1 (0.64) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL30155310 0.84 ABL1 (0.64) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL29484468 0.84 SRC (0.61) ABL1MTORRAB9ADAPK3MAP4K4
SCHEMBL400626 0.84 SRC (0.61) ABL1MTORRAB9ADAPK3MAP4K4

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 WO disclosed