SCHEMBL29370153

SCHEMBL29370153

CC1(O)CCC(NC(=O)c2cc(B(O)O)cnc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 16/20 0.52
▸ BMPR1A P36894 16/20 0.52
▸ TGFBR1 P36897 16/20 0.52
▸ ACVRL1 P37023 16/20 0.52
▸ ACVR1 Q04771 16/20 0.52
▸ HPGDS O60760 2/20 0.45
▸ PIK3C3 Q8NEB9 2/20 0.43

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
SCHEMBL20995177 1.00 BMPR1B (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995174 1.00 BMPR1B (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995250 0.83 BMPR1B (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995251 0.83 BMPR1B (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29370644 0.83 BMPR1B (0.60) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995274 0.83 BMPR1B (0.60) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995275 0.83 BMPR1B (0.60) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042024 0.82 PIK3C3 (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29373224 0.78 HSD11B1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20240880 0.72 HPGD (0.46) —

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-114014844-B Aminopyridine derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2024-10-01 — — CN disclosed
CN-114014844-A Aminopyridine derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2022-02-08 — — CN disclosed
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