SCHEMBL21703430

SCHEMBL21703430

CC(C)Cc1c(F)cnc2[nH]c(Cn3c(Cl)ccc(N)c3=O)nc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
MAP4K1 Q92918 2/20 0.32

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
SCHEMBL23453122 0.85 NOS1 (0.33) P2RX3MAP4K1
SCHEMBL21684918 0.83 MAP4K1 (0.38) P2RX3MAP4K1
SCHEMBL21703101 0.82 MAP4K1 (0.41) MAP4K1
SCHEMBL21703476 0.75 MAP4K1 (0.38) MAP4K1
SCHEMBL21703379 0.73 MAP4K1 (0.45) MAP4K1
SCHEMBL21703103 0.72 MAP4K1 (0.44) MAP4K1
SCHEMBL21684833 0.72 MAP4K1 (0.38) MAP4K1
SCHEMBL21703366 0.72 MAP4K1 (0.49) MAP4K1
SCHEMBL31450380 0.72 MAP4K1 (0.53) MAP4K1
SCHEMBL21703423 0.71 MAP4K1 (0.44) MAP4K1

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
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed