SCHEMBL29356452

SCHEMBL29356452

CCn1cc(-c2ccnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)c3)n2)c(-c2cccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 20/20 0.63

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
SCHEMBL21526395 1.00 ACVR1 (0.63) ACVR1
SCHEMBL21548800 0.91 ACVR1 (0.73) ACVR1
SCHEMBL21526563 0.91 ACVR1 (0.65) ACVR1
SCHEMBL21526615 0.91 ACVR1 (0.74) ACVR1
SCHEMBL29356874 0.91 ACVR1 (0.74) ACVR1
SCHEMBL21526628 0.88 ACVR1 (0.74) ACVR1
SCHEMBL21526464 0.88 ACVR1 (0.63) ACVR1
SCHEMBL21553394 0.87 ACVR1 (0.71) ACVR1
SCHEMBL29351633 0.87 ACVR1 (0.71) ACVR1
SCHEMBL21526617 0.86 ACVR1 (0.73) ACVR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 — — EP disclosed
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