SCHEMBL30508252

SCHEMBL30508252

Nc1ncc(-c2ccc3nn(C4CCN(C5COC5)CC4)cc3c2)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
WNT1 P04628 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
BMPR1B O00238 4/20 0.40
BMPR1A P36894 4/20 0.40
TGFBR1 P36897 4/20 0.40
ACVRL1 P37023 4/20 0.40
ACVR1 Q04771 4/20 0.40
MAP4K3 Q8IVH8 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MET P08581 8/20 0.38
MAP3K12 Q12852 2/20 0.36

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
SCHEMBL30508288 0.90 IRAK4 (0.45) GSK3BDYRK1AWNT1IRAK4BMPR1B
SCHEMBL29042039 0.90 IRAK4 (0.45) GSK3BDYRK1AWNT1IRAK4BMPR1B
SCHEMBL30508339 0.88 MET (0.44) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508302 0.87 BMPR1B (0.41) GSK3BDYRK1AWNT1BMPR1BBMPR1A
SCHEMBL30508298 0.87 BMPR1B (0.41) GSK3BDYRK1AWNT1BMPR1BBMPR1A
SCHEMBL30508290 0.87 BMPR1B (0.41) GSK3BDYRK1AWNT1BMPR1BBMPR1A
SCHEMBL30508228 0.82 BMPR1B (0.43) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508232 0.77 IRAK4 (0.48) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29041964 0.77 IRAK4 (0.48) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29042053 0.77 IRAK4 (0.42) GSK3BDYRK1AWNT1IRAK4BMPR1B

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