SCHEMBL29354875

SCHEMBL29354875

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nccc(-c4cn(Cc5cccnc5)nc4-c4cccnc4)n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 20/20 0.64

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
SCHEMBL21526611 1.00 ACVR1 (0.64) ACVR1
SCHEMBL21526575 0.93 ACVR1 (0.70) ACVR1
SCHEMBL21526628 0.92 ACVR1 (0.74) ACVR1
SCHEMBL21526555 0.91 ACVR1 (0.72) ACVR1
SCHEMBL29356337 0.91 ACVR1 (0.72) ACVR1
SCHEMBL29354211 0.91 ACVR1 (0.72) ACVR1
SCHEMBL21553409 0.91 ACVR1 (0.72) ACVR1
SCHEMBL29354650 0.91 ACVR1 (0.75) ACVR1
SCHEMBL21553427 0.91 ACVR1 (0.75) ACVR1
SCHEMBL21553454 0.91 ACVR1 (0.74) 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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