SCHEMBL30452683

SCHEMBL30452683

Cc1c(-c2ccc(C(F)(F)F)nc2)cnc(C#N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 3/20 0.40
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
MAP4K4 O95819 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PDE10A Q9Y233 3/20 0.37
LGMN Q99538 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CASP3 P42574 1/20 0.34
KCNJ11 Q14654 2/20 0.34

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
SCHEMBL24257511 1.00 SLC34A1 (0.40) SLC34A1MTORPIK3CAMAP4K4KCNH2
SCHEMBL24257763 0.82 KDM4E (0.35) PDE10A
SCHEMBL30546870 0.82 KDM4E (0.35) PDE10A
SCHEMBL30452657 0.76 PDE10A (0.39) MTORPDE10A
SCHEMBL24257740 0.76 PDE10A (0.39) MTORPDE10A
SCHEMBL24257730 0.75 NPSR1 (0.41) MTORMAP4K4KCNH2
SCHEMBL30453225 0.75 NPSR1 (0.41) MTORMAP4K4KCNH2
SCHEMBL24257513 0.75 KDM4E (0.38) PDE10A
SCHEMBL30453043 0.75 KDM4E (0.38) PDE10A
SCHEMBL30546856 0.74 PDE10A (0.38) MTORPDE10A

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
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed