SCHEMBL30508191

SCHEMBL30508191

Nc1ncc(-c2ccc3nn(C4CCN(C5CCOCC5)C4)cc3c2)cc1C(=O)NC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 18/20 0.52
BMPR1A P36894 18/20 0.52
TGFBR1 P36897 18/20 0.52
ACVRL1 P37023 18/20 0.52
ACVR1 Q04771 18/20 0.52
PIK3C3 Q8NEB9 2/20 0.52

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
SCHEMBL29042017 1.00 BMPR1B (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508264 0.95 BMPR1B (0.59) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042045 0.95 BMPR1B (0.59) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508340 0.91 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508302 0.89 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508290 0.89 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508298 0.89 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042053 0.88 IRAK4 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508229 0.88 IRAK4 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508326 0.88 IRAK4 (0.42) 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