SCHEMBL30508326

SCHEMBL30508326

COC(=O)c1cc(-c2ccc3nn([C@@H]4CCN(C5CCOCC5)C4)cc3c2)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.42
BMPR1B O00238 11/20 0.41
BMPR1A P36894 11/20 0.41
TGFBR1 P36897 11/20 0.41
ACVRL1 P37023 11/20 0.41
ACVR1 Q04771 11/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
MET P08581 2/20 0.38
ABL1 P00519 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
EPHA2 P29317 1/20 0.38
MST1R Q04912 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
SCHEMBL29042053 1.00 IRAK4 (0.42) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508229 1.00 IRAK4 (0.42) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508232 0.92 IRAK4 (0.48) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29041964 0.92 IRAK4 (0.48) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508302 0.90 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508290 0.90 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508298 0.90 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508219 0.89 BMPR1B (0.43) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29042061 0.89 BMPR1B (0.43) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508288 0.88 IRAK4 (0.45) IRAK4BMPR1BBMPR1ATGFBR1ACVRL1

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 3 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
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed