SCHEMBL20121070

SCHEMBL20121070

COc1cc(C(=O)N2CC(N)C[C@@H](C#N)C2)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.71

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
SCHEMBL18969398 1.00 PADI4 (0.71) PADI4
SCHEMBL18976214 1.00 PADI4 (0.71) PADI4
SCHEMBL18956488 1.00 PADI4 (0.71) PADI4
SCHEMBL23865690 0.94 PADI4 (0.62) PADI4
SCHEMBL18969466 0.94 PADI4 (0.70) PADI4
SCHEMBL18969357 0.90 PADI4 (0.76) PADI4
SCHEMBL18969406 0.90 PADI4 (0.76) PADI4
SCHEMBL18969356 0.90 PADI4 (0.76) PADI4
SCHEMBL20121069 0.90 PADI4 (0.76) PADI4
SCHEMBL18969578 0.90 PADI4 (0.78) PADI4

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
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed