SCHEMBL20121131

SCHEMBL20121131

COc1cc(C(=O)N2CCC(OC)[C@H](N)C2)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.71
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69

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
SCHEMBL23436056 1.00 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL20121132 1.00 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969429 1.00 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969426 1.00 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL20121125 0.94 PADI4 (0.74) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18968210 0.93 PADI4 (0.61) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18969414 0.93 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18968233 0.93 PADI4 (0.61) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL28839537 0.93 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18956444 0.93 PADI4 (0.67) PADI4PDE4APDE4BPDE4CPDE4D

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