SCHEMBL30572725

SCHEMBL30572725

COc1ccc(-c2cc3c(N4CCNCC4)ccnn3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.49
RIOK2 Q9BVS4 10/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
MTOR P42345 2/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
PIK3CD O00329 1/20 0.42
CSNK2A2 P19784 1/20 0.42
FECH P22830 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CLK1 P49759 1/20 0.42
GSK3A P49840 1/20 0.42
DYRK1A Q13627 1/20 0.42
MELK Q14680 1/20 0.42
MYLK3 Q32MK0 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PIP4K2C Q8TBX8 1/20 0.42

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
SCHEMBL30572694 0.91 RET (0.45) RETRIOK2CHRNB2CHRNA4MTOR
SCHEMBL19462890 0.78 RET (0.45) RETNCF1TGFBR1ACVR1KIT
SCHEMBL19459259 0.74 LIPG (0.43) RETNCF1TGFBR1ACVR1KIT
SCHEMBL19481688 0.74 RET (0.54) RET
SCHEMBL24615598 0.73 JAK1 (0.42) RETJAK2JAK1TYK2JAK3
SCHEMBL19482443 0.72 RET (0.41) RETNCF1TGFBR1ACVR1KIT
SCHEMBL21679774 0.72 KHK (0.43) RETTGFBR1ACVR1KIT
SCHEMBL19481736 0.72 RET (0.51) RETACVR1
SCHEMBL19459081 0.72 RET (0.41) RETNCF1TGFBR1ACVR1KIT
SCHEMBL19486469 0.71 BMP4 (0.46) RETTGFBR1ACVR1KIT

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-2023165581-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-09-07 WO disclosed