SCHEMBL30508239

SCHEMBL30508239

CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2cc(Br)cnc2N)CO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ BMPR1B O00238 9/20 0.42
▸ BMPR1A P36894 9/20 0.42
▸ ACVRL1 P37023 9/20 0.42
▸ ACVR1 Q04771 9/20 0.42
▸ TGFBR1 P36897 8/20 0.42
▸ PIK3C3 Q8NEB9 2/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ BTK Q06187 2/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL30508193 0.81 BMPR1B (0.44) IRAK4BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL3059096 0.81 SMYD3 (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30964448 0.81 SMYD3 (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995122 0.79 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995120 0.79 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995270 0.79 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22585726 0.78 PIK3C3 (0.49) HPGDSBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL22558893 0.78 PIK3C3 (0.49) HPGDSBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL22558810 0.76 CNR2 (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30508263 0.76 PIK3C3 (0.56) HPGDSBMPR1BBMPR1AACVRL1ACVR1

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
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