SCHEMBL30508339

SCHEMBL30508339

Nc1ncc(-c2ccc3nn(C4CCOCC4)cc3c2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.44
ABL1 P00519 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
EPHA2 P29317 1/20 0.42
MST1R Q04912 1/20 0.42
BMPR1B O00238 10/20 0.41
BMPR1A P36894 10/20 0.41
TGFBR1 P36897 10/20 0.41
ACVRL1 P37023 10/20 0.41
ACVR1 Q04771 10/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
TLR8 Q9NR97 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38

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
SCHEMBL30508290 0.91 BMPR1B (0.41) METABL1RETFGFR1FLT1
SCHEMBL30508298 0.91 BMPR1B (0.41) METABL1RETFGFR1FLT1
SCHEMBL30508302 0.91 BMPR1B (0.41) METABL1RETFGFR1FLT1
SCHEMBL29041964 0.89 IRAK4 (0.48) METABL1RETFGFR1FLT1
SCHEMBL30508232 0.89 IRAK4 (0.48) METABL1RETFGFR1FLT1
SCHEMBL30508252 0.88 GSK3B (0.40) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508328 0.83 BMPR1B (0.61) METABL1RETFGFR1FLT1
SCHEMBL30508229 0.81 IRAK4 (0.42) METABL1RETFGFR1FLT1
SCHEMBL29042053 0.81 IRAK4 (0.42) METABL1RETFGFR1FLT1
SCHEMBL30508300 0.79 PIK3CD (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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