SCHEMBL31095466

SCHEMBL31095466

c1ccc([C@@H]2CCCN2c2nc(Nc3cn(C4CCC4)cn3)c3cccn3n2)nc1

nearest known ligand 0.95

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 20/20 0.95

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
SCHEMBL20589232 1.00 ACVR1 (0.95) ACVR1
SCHEMBL20589234 1.00 ACVR1 (0.95) ACVR1
SCHEMBL25198919 0.98 ACVR1 (0.98) ACVR1
SCHEMBL25192734 0.97 ACVR1 (1.00) ACVR1
SCHEMBL25198096 0.97 ACVR1 (1.00) ACVR1
SCHEMBL20589728 0.90 ACVR1 (1.00) ACVR1
SCHEMBL31095556 0.90 ACVR1 (1.00) ACVR1
SCHEMBL20588613 0.89 ACVR1 (0.95) ACVR1
SCHEMBL20588615 0.89 ACVR1 (0.95) ACVR1
SCHEMBL20590092 0.88 ACVR1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed