SCHEMBL30508325

SCHEMBL30508325

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1C(=O)NC1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 13/20 0.67
BMPR1B O00238 12/20 0.67
BMPR1A P36894 12/20 0.67
TGFBR1 P36897 12/20 0.67
ACVRL1 P37023 12/20 0.67
AXL P30530 3/20 0.64
MERTK Q12866 3/20 0.64
PIK3C3 Q8NEB9 1/20 0.59
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL29041913 1.00 ACVR1 (0.67) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508297 0.93 ACVR1 (0.67) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29042028 0.93 ACVR1 (0.67) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29041996 0.93 BMPR1B (0.62) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508231 0.93 BMPR1B (0.62) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508373 0.88 BMPR1B (0.70) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508192 0.88 BMPR1B (0.58) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508357 0.88 AXL (0.59) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29041990 0.86 BMPR1B (0.68) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30508311 0.86 BMPR1B (0.60) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1

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