SCHEMBL30508193

SCHEMBL30508193

Nc1ncc(Br)cc1C(=O)N[C@@H]1CC[C@@H](CO)OC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 12/20 0.44
▸ BMPR1A P36894 12/20 0.44
▸ ACVRL1 P37023 12/20 0.44
▸ ACVR1 Q04771 12/20 0.44
▸ TGFBR1 P36897 11/20 0.44
▸ CNR2 P34972 2/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.41
▸ PIK3C3 Q8NEB9 2/20 0.41
▸ BTK Q06187 2/20 0.39
▸ CNR1 P21554 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
SCHEMBL3059096 0.84 SMYD3 (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30964448 0.84 SMYD3 (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995270 0.82 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995120 0.82 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995122 0.82 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30508239 0.81 HPGDS (0.44) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22558893 0.81 PIK3C3 (0.49) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22585726 0.81 PIK3C3 (0.49) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22558810 0.79 CNR2 (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29041999 0.78 PIK3C3 (0.56) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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
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