SCHEMBL29370385

SCHEMBL29370385

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)NC4CCCCC4)c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 11/20 1.00
▸ BMPR1A P36894 11/20 1.00
▸ ACVRL1 P37023 11/20 1.00
▸ ACVR1 Q04771 11/20 1.00
▸ TGFBR1 P36897 10/20 1.00
▸ MERTK Q12866 5/20 0.64
▸ AXL P30530 4/20 0.61
▸ KCNH2 Q12809 3/20 0.55
▸ CCNC P24863 1/20 0.52
▸ CDK8 P49336 1/20 0.52

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
SCHEMBL19807056 1.00 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806978 0.91 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370244 0.91 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806979 0.91 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806970 0.89 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29372986 0.89 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
Trifluoroacetic Acid SCHEMBL29373477 0.86 BMPR1B (0.88) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807032 0.85 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370395 0.85 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20995196 0.82 BMPR1B (0.71) 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
Send feedback