SCHEMBL30508231

SCHEMBL30508231

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1C(=O)NC1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 12/20 0.62
BMPR1A P36894 12/20 0.62
TGFBR1 P36897 12/20 0.62
ACVRL1 P37023 12/20 0.62
ACVR1 Q04771 12/20 0.62
AXL P30530 4/20 0.60
MERTK Q12866 4/20 0.60
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIK3C3 Q8NEB9 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
SCHEMBL29041996 1.00 BMPR1B (0.62) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508325 0.93 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29041913 0.93 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042028 0.86 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508297 0.86 ACVR1 (0.67) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508357 0.86 AXL (0.59) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508192 0.85 BMPR1B (0.58) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508321 0.81 AXL (0.57) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508373 0.81 BMPR1B (0.70) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19806892 0.80 ACVR1 (0.77) 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