SCHEMBL29370229

SCHEMBL29370229

CC(c1ccc(-c2cnc(N)c(C(=O)NC3CCC(O)CC3)c2)cc1)N1CC2(COC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 20/20 1.00
BMPR1A P36894 20/20 1.00
ACVRL1 P37023 20/20 1.00
ACVR1 Q04771 20/20 1.00
TGFBR1 P36897 19/20 1.00

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
SCHEMBL21026974 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995115 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29372750 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29373611 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995128 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995142 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21027214 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22455948 0.93 BMPR1B (0.87) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL23418645 0.92 BMPR1B (0.86) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806985 0.92 BMPR1B (0.86) 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