SCHEMBL30508232

SCHEMBL30508232

COC(=O)c1cc(-c2ccc3nn(C4CCOCC4)cc3c2)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.48
MET P08581 2/20 0.43
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
EPHA2 P29317 1/20 0.43
MST1R Q04912 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
BMPR1B O00238 4/20 0.41
BMPR1A P36894 4/20 0.41
TGFBR1 P36897 4/20 0.41
ACVRL1 P37023 4/20 0.41
ACVR1 Q04771 4/20 0.41
TLR8 Q9NR97 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
SCHEMBL29041964 1.00 IRAK4 (0.48) IRAK4METABL1RETFGFR1
SCHEMBL30508229 0.92 IRAK4 (0.42) IRAK4METABL1RETFGFR1
SCHEMBL29042053 0.92 IRAK4 (0.42) IRAK4METABL1RETFGFR1
SCHEMBL30508326 0.92 IRAK4 (0.42) IRAK4METABL1RETFGFR1
SCHEMBL29042039 0.89 IRAK4 (0.45) IRAK4METBMPR1BBMPR1ATGFBR1
SCHEMBL30508288 0.89 IRAK4 (0.45) IRAK4METBMPR1BBMPR1ATGFBR1
SCHEMBL30508339 0.89 MET (0.44) IRAK4METABL1RETFGFR1
SCHEMBL30508328 0.82 BMPR1B (0.61) METABL1RETFGFR1FLT1
SCHEMBL29152374 0.81 PIK3CD (0.45) METABL1RETFGFR1FLT1
SCHEMBL30508361 0.81 PIK3CD (0.45) METABL1RETFGFR1FLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed