SCHEMBL29370244

SCHEMBL29370244

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)NC4CCC(O)CC4)c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 18/20 1.00
▸ BMPR1A P36894 18/20 1.00
▸ ACVRL1 P37023 18/20 1.00
▸ ACVR1 Q04771 18/20 1.00
▸ TGFBR1 P36897 17/20 0.84
▸ MERTK Q12866 2/20 0.61
▸ AXL P30530 1/20 0.58

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
SCHEMBL19806978 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806979 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
Trifluoroacetic Acid SCHEMBL29373477 0.94 BMPR1B (0.88) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370385 0.91 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807056 0.91 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20067750 0.81 BMPR1B (0.68) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20067749 0.81 BMPR1B (0.68) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18615504 0.81 BMPR1B (0.68) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21779418 0.80 BMPR1B (0.68) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806970 0.80 BMPR1B (1.00) 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
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