SCHEMBL31663339

SCHEMBL31663339

FC(F)(F)c1ccc2ncc(NCc3ccc4cc[nH]c4c3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.53
ABL1 P00519 1/20 0.40
ESR1 P03372 2/20 0.38
CHRNA7 P36544 3/20 0.38
KIF11 P52732 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KCNH2 Q12809 1/20 0.36
EGFR P00533 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL31662867 0.89 MET (0.47) METABL1PDGFRBPDGFRABACE1
SCHEMBL31662945 0.83 ABL1 (0.46) METABL1PDGFRBPDGFRABACE1
SCHEMBL31663280 0.83 AHR (0.46) METABL1ESR1PDGFRBPDGFRA
SCHEMBL31663283 0.83 ABL1 (0.44) METABL1ESR1PDGFRBPDGFRA
SCHEMBL31663182 0.83 PDE10A (0.46) METABL1PDGFRBPDGFRABACE1
SCHEMBL22803602 0.81 ESR1 (0.48) METABL1ESR1KIF11EGFR
SCHEMBL31663349 0.80 MEN1 (0.49) METABL1ESR1PDGFRBPDGFRA
SCHEMBL31663079 0.80 CCNT1 (0.40) METABL1PDGFRBPDGFRABACE1
SCHEMBL31663355 0.79 ABL1 (0.44) METABL1ESR1PDGFRBPDGFRA
SCHEMBL31663077 0.78 MET (0.47) METABL1PDGFRBPDGFRA

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
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO claimed
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed