SCHEMBL30508286

SCHEMBL30508286

Nc1ncc(-c2ccc3c(c2)CCC3N2CCN(C3COC3)CC2)cc1C(=O)NC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.53
BMPR1B O00238 18/20 0.53
BMPR1A P36894 18/20 0.53
ACVRL1 P37023 18/20 0.53
ACVR1 Q04771 18/20 0.53
TGFBR1 P36897 17/20 0.53

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
SCHEMBL29042035 1.00 PIK3C3 (0.53) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508371 0.84 MAP4K4 (0.43) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508362 0.82 BMPR1B (0.43) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL29152377 0.82 BMPR1B (0.43) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508209 0.81 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30508206 0.79 ACVR1 (0.42) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508405 0.79 BMPR1B (0.53) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL30508273 0.78 BMPR1B (0.42) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL29042048 0.78 BMPR1B (0.42) PIK3C3BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508370 0.77 BMPR1B (0.57) 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