SCHEMBL30508355

SCHEMBL30508355

CC(c1ccc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)cc1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 19/20 0.66
BMPR1A P36894 19/20 0.66
ACVRL1 P37023 19/20 0.66
ACVR1 Q04771 19/20 0.66
TGFBR1 P36897 18/20 0.66
PIK3C3 Q8NEB9 1/20 0.59

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
SCHEMBL29042037 1.00 BMPR1B (0.66) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806984 0.89 BMPR1B (0.77) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806932 0.89 BMPR1B (0.77) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806896 0.88 BMPR1B (0.79) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30508267 0.84 BMPR1B (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23418645 0.82 BMPR1B (0.86) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806985 0.82 BMPR1B (0.86) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995128 0.80 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995142 0.80 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21026974 0.80 BMPR1B (1.00) 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