SCHEMBL29370273

SCHEMBL29370273

Nc1ncc(-c2ccc(N3CCOCC3)cc2)cc1C(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 19/20 1.00
BMPR1A P36894 19/20 1.00
ACVRL1 P37023 19/20 1.00
ACVR1 Q04771 19/20 1.00
TGFBR1 P36897 18/20 1.00
PIK3C3 Q8NEB9 1/20 0.56

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
SCHEMBL19807004 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29373825 0.93 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807000 0.93 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29372986 0.87 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806970 0.87 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23940733 0.82 BMPR1B (0.73) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370348 0.82 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806967 0.82 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807041 0.82 BMPR1B (0.73) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806887 0.81 BMPR1B (0.72) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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-114014844-B Aminopyridine derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2024-10-01 CN disclosed
CN-114014844-A Aminopyridine derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2022-02-08 CN disclosed