SCHEMBL30508281

SCHEMBL30508281

Nc1ncc(-c2ccc3c(cnn3[C@@H]3CCN(C4CCOCC4)C3)c2)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 13/20 0.43
BMPR1A P36894 13/20 0.43
TGFBR1 P36897 13/20 0.43
ACVRL1 P37023 13/20 0.43
ACVR1 Q04771 13/20 0.43
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL30508271 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508250 0.95 WNT1 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508300 0.91 PIK3CD (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042110 0.91 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508384 0.91 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508383 0.91 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508236 0.86 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508170 0.86 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508187 0.85 GPR119 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042057 0.85 GPR119 (0.44) 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