SCHEMBL29354735

SCHEMBL29354735

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

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 20/20 0.72

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
SCHEMBL21553407 1.00 ACVR1 (0.72) ACVR1
SCHEMBL21526628 0.92 ACVR1 (0.74) ACVR1
SCHEMBL21526538 0.92 ACVR1 (0.72) ACVR1
SCHEMBL29356884 0.92 ACVR1 (0.72) ACVR1
SCHEMBL21526489 0.92 ACVR1 (0.65) ACVR1
SCHEMBL29357430 0.92 ACVR1 (0.65) ACVR1
SCHEMBL29356475 0.91 ACVR1 (0.74) ACVR1
SCHEMBL21553454 0.91 ACVR1 (0.74) ACVR1
SCHEMBL21526575 0.91 ACVR1 (0.70) ACVR1
SCHEMBL21526611 0.90 ACVR1 (0.64) 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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