SCHEMBL18975356

SCHEMBL18975356

Cn1c(-c2cc3cccnc3n2CC(F)(F)F)nc2cc(C(=O)N3CCC4CC(c5cnc6c(c5)cc(-c5nc7cc(C(=O)N8CCC[C@@H](N)C8)cnc7n5C)n6CC(F)(F)F)NC4C3)cnc21

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.53

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
SCHEMBL22450738 0.92 PADI4 (0.52) PADI4
SCHEMBL18975355 0.92 PADI4 (0.59) PADI4
SCHEMBL22450536 0.91 PADI4 (0.44) PADI4
SCHEMBL18960700 0.88 PADI4 (0.65) PADI4
SCHEMBL22450513 0.88 PADI4 (0.55) PADI4
SCHEMBL18960702 0.83 PADI4 (0.62) PADI4
SCHEMBL22450526 0.82 PADI4 (0.51) PADI4
SCHEMBL18960749 0.82 PADI4 (0.51) PADI4
SCHEMBL18960746 0.82 PADI4 (0.51) PADI4
SCHEMBL18960747 0.82 PADI4 (0.51) 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
EP-3386505-B1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2020-09-23 EP disclosed
WO-2017100601-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed