SCHEMBL18969157

SCHEMBL18969157

COc1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@H](F)C5)ccc4n3C)n(CC3CC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 20/20 0.60

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
SCHEMBL29850728 0.91 PADI4 (0.73) PADI4
SCHEMBL18969393 0.91 PADI4 (0.73) PADI4
SCHEMBL18968555 0.91 PADI4 (0.58) PADI4
SCHEMBL18968803 0.88 PADI4 (0.67) PADI4
SCHEMBL18940650 0.88 PADI4 (0.76) PADI4
SCHEMBL23435968 0.85 PADI4 (0.57) PADI4
SCHEMBL18968862 0.85 PADI4 (0.57) PADI4
SCHEMBL18969428 0.85 PADI4 (0.57) PADI4
SCHEMBL23436002 0.85 PADI4 (0.69) PADI4
SCHEMBL23435550 0.85 PADI4 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed