SCHEMBL30508311

SCHEMBL30508311

Nc1ncc(-c2ccc(CN3CCOCC3)c(F)c2)cc1C(=O)NC1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 9/20 0.60
BMPR1A P36894 9/20 0.60
TGFBR1 P36897 9/20 0.60
ACVRL1 P37023 9/20 0.60
ACVR1 Q04771 9/20 0.60
PIK3C3 Q8NEB9 1/20 0.57
AXL P30530 6/20 0.54
MERTK Q12866 6/20 0.54
MAPK1 P28482 3/20 0.52
LRRK2 Q5S007 1/20 0.51

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
SCHEMBL29042010 1.00 BMPR1B (0.60) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508325 0.86 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041913 0.86 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508297 0.80 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042028 0.80 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041996 0.79 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508231 0.79 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508412 0.79 BMPR1B (0.82) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042031 0.79 BMPR1B (0.82) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508396 0.75 BMPR1B (0.65) 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 2 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
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed