SCHEMBL30508332

SCHEMBL30508332

Nc1ncc(-c2ccc3nn(CCN4CCC(F)(F)CC4)cc3c2)cc1C(=O)NC12CCC(O)(CC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 16/20 0.51
BMPR1A P36894 16/20 0.51
TGFBR1 P36897 16/20 0.51
ACVRL1 P37023 16/20 0.51
ACVR1 Q04771 16/20 0.51
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.37
AXL P30530 1/20 0.36
MERTK Q12866 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
SCHEMBL30508377 0.91 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508200 0.87 HDAC3 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508316 0.85 HDAC3 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041963 0.85 HDAC3 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508183 0.79 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508323 0.78 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508341 0.77 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508328 0.76 BMPR1B (0.61) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508285 0.75 HDAC3 (0.55) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042097 0.74 HDAC3 (0.52) 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