SCHEMBL30508256

SCHEMBL30508256

Nc1ncc(-c2ccc3c(c2)CCC32CCN(C3CCOCC3)C2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 17/20 0.44
BMPR1A P36894 17/20 0.44
TGFBR1 P36897 17/20 0.44
ACVRL1 P37023 17/20 0.44
ACVR1 Q04771 17/20 0.44
PIK3C3 Q8NEB9 2/20 0.38
DGAT1 O75907 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
SCHEMBL30508333 0.90 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508287 0.89 BMPR1B (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508365 0.87 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508308 0.87 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508313 0.87 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508318 0.87 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508347 0.85 BMPR1B (0.63) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508358 0.84 BMPR1B (0.51) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508304 0.82 BMPR1B (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508214 0.81 BMPR1B (0.43) 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 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