SCHEMBL29370348

SCHEMBL29370348

Nc1ncc(-c2ccc(OCCCN3CCOCC3)cc2)cc1C(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 12/20 1.00
BMPR1A P36894 12/20 1.00
TGFBR1 P36897 12/20 1.00
ACVRL1 P37023 12/20 1.00
ACVR1 Q04771 12/20 1.00
EPHX2 P34913 2/20 0.59
CNR2 P34972 2/20 0.53
HRH3 Q9Y5N1 1/20 0.52
CNR1 P21554 1/20 0.52
AXL P30530 2/20 0.51
MERTK Q12866 2/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 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
SCHEMBL19806967 1.00 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19806958 0.93 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29373193 0.93 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508412 0.90 BMPR1B (0.82) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29042031 0.90 BMPR1B (0.82) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23940733 0.84 BMPR1B (0.73) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19807041 0.84 BMPR1B (0.73) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30508278 0.83 BMPR1B (0.70) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29370273 0.82 BMPR1B (1.00) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19807004 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-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