SCHEMBL22450587

SCHEMBL22450587

Cn1c(-c2cc3cccnc3n2CC(F)(F)F)nc2cc(C(=O)N3CCCCC3)cnc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 8/20 0.49
ADORA2A P29274 6/20 0.44
HPGD P15428 5/20 0.43
TSHR P16473 1/20 0.40

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
SCHEMBL18960700 0.89 PADI4 (0.65) PADI4
SCHEMBL22450566 0.88 PADI4 (0.47) PADI4HPGD
SCHEMBL18975348 0.86 PADI4 (0.59) PADI4
SCHEMBL18960747 0.84 PADI4 (0.51) PADI4
SCHEMBL18960746 0.84 PADI4 (0.51) PADI4
SCHEMBL18960749 0.84 PADI4 (0.51) PADI4
SCHEMBL18960702 0.83 PADI4 (0.62) PADI4
SCHEMBL22450519 0.79 PADI4 (0.61) PADI4
SCHEMBL22450554 0.79 PADI4 (0.54) PADI4TSHR
SCHEMBL16817913 0.79 PADI4 (0.81) 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 1 patent. 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