SCHEMBL30508328

SCHEMBL30508328

Nc1ncc(-c2ccc3nn(C4CCOCC4)cc3c2)cc1C(=O)NC12CCC(O)(CC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 18/20 0.61
BMPR1A P36894 18/20 0.61
TGFBR1 P36897 18/20 0.61
ACVRL1 P37023 18/20 0.61
ACVR1 Q04771 18/20 0.61
MET P08581 2/20 0.43
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
EPHA2 P29317 1/20 0.43
MST1R Q04912 1/20 0.43

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
SCHEMBL30508410 0.95 BMPR1B (0.60) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508184 0.93 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508299 0.93 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508295 0.93 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508323 0.89 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508221 0.88 BMPR1B (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508341 0.87 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508174 0.83 BMPR1B (0.63) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508339 0.83 MET (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508232 0.82 IRAK4 (0.48) 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