SCHEMBL30508306

SCHEMBL30508306

COC(=O)c1cc(-c2ccc3c(c2)C=CC32CCN(C3CCOCC3)CC2)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 15/20 0.45
BMPR1A P36894 15/20 0.45
TGFBR1 P36897 15/20 0.45
ACVRL1 P37023 15/20 0.45
ACVR1 Q04771 15/20 0.45
PIK3C3 Q8NEB9 2/20 0.42
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL30508212 0.90 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508259 0.85 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508245 0.82 BMPR1B (0.47) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508333 0.80 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508199 0.79 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508244 0.78 PIK3C3 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041972 0.78 PIK3C3 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508187 0.76 GPR119 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042057 0.76 GPR119 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508362 0.76 BMPR1B (0.43) 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 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