SCHEMBL30508206

SCHEMBL30508206

Nc1ncc(-c2ccc3c(c2)CCC3N2CCC(N3CCOCC3)CC2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 11/20 0.42
BMPR1B O00238 10/20 0.42
BMPR1A P36894 10/20 0.42
TGFBR1 P36897 10/20 0.42
ACVRL1 P37023 10/20 0.42
MAP4K4 O95819 2/20 0.42
PDE5A O76074 1/20 0.42
AOC3 Q16853 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.39
EZH2 Q15910 1/20 0.38
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL30508371 0.94 MAP4K4 (0.43) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29042048 0.90 BMPR1B (0.42) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508273 0.90 BMPR1B (0.42) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508370 0.85 BMPR1B (0.57) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508362 0.83 BMPR1B (0.43) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29152377 0.83 BMPR1B (0.43) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508286 0.79 PIK3C3 (0.53) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29042035 0.79 PIK3C3 (0.53) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508209 0.79 BMPR1B (0.62) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508214 0.77 BMPR1B (0.43) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1

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