SCHEMBL30508261

SCHEMBL30508261

Nc1ncc(-c2ccc(N3CC4(CCN(C5COC5)CC4)C3)cc2)cc1C(=O)N[C@@H]1CC[C@@H](CO)OC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 20/20 0.54
BMPR1A P36894 20/20 0.54
TGFBR1 P36897 20/20 0.54
ACVRL1 P37023 20/20 0.54
ACVR1 Q04771 20/20 0.54

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
SCHEMBL30508345 0.88 BMPR1B (0.59) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508357 0.78 AXL (0.59) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508358 0.78 BMPR1B (0.51) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508257 0.76 BMPR1B (0.80) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508278 0.75 BMPR1B (0.70) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508267 0.74 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508253 0.73 BMPR1B (0.66) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL31128359 0.70 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995075 0.70 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995051 0.70 BMPR1B (1.00) 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