SCHEMBL30508253

SCHEMBL30508253

Nc1ncc(-c2ccc(N3CC4(CC(=O)C4)C3)cc2)cc1C(=O)NC1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 19/20 0.66
BMPR1A P36894 19/20 0.66
TGFBR1 P36897 19/20 0.66
ACVRL1 P37023 19/20 0.66
ACVR1 Q04771 19/20 0.66
PIK3C3 Q8NEB9 1/20 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
SCHEMBL29370273 0.80 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19807004 0.80 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508373 0.78 BMPR1B (0.70) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508345 0.77 BMPR1B (0.59) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042005 0.77 BMPR1B (0.65) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508396 0.77 BMPR1B (0.65) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19807000 0.76 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29373825 0.76 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041913 0.76 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508325 0.76 ACVR1 (0.67) 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