SCHEMBL30508283

SCHEMBL30508283

COC(=O)c1cc(-c2ccc(C(C)N3CC4(COC4)C3)cc2)cnc1N

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 15/20 0.69
BMPR1A P36894 15/20 0.69
TGFBR1 P36897 15/20 0.69
ACVRL1 P37023 15/20 0.69
ACVR1 Q04771 15/20 0.69
TBK1 Q9UHD2 2/20 0.42
IKBKE Q14164 1/20 0.42
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
EIF2S1 P05198 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL30508351 0.89 BMPR1B (0.70) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508266 0.84 TGFBR1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23418645 0.83 BMPR1B (0.86) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19806985 0.83 BMPR1B (0.86) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995128 0.82 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL21026974 0.82 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995142 0.82 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL22455948 0.82 BMPR1B (0.87) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL21027214 0.82 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20995115 0.82 BMPR1B (1.00) 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