SCHEMBL21703240

SCHEMBL21703240

CC(C)Cc1c(F)cc(F)c2c1nc(Cn1cccc(N)c1=O)n2C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.35
ELANE P08246 1/20 0.33
PKM P14618 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL21685392 0.82 MAP4K1 (0.45) MAP4K1
SCHEMBL21703101 0.73 MAP4K1 (0.41) MAP4K1ELANEPKMPARP1
SCHEMBL21703425 0.71 MAP4K1 (0.39) MAP4K1ELANEPKM
SCHEMBL21703141 0.70 MAP4K1 (0.47) MAP4K1ELANE
SCHEMBL21703190 0.70 MAP4K1 (0.44) MAP4K1ELANE
SCHEMBL21684490 0.68 MAP4K1 (0.48) MAP4K1PKM
SCHEMBL21703267 0.68 MAP4K1 (0.53) MAP4K1
SCHEMBL21684586 0.67 MAP4K1 (0.52) MAP4K1ELANE
SCHEMBL23452918 0.67 MAP4K1 (0.41) MAP4K1ELANEPKMPARP1
SCHEMBL25952900 0.67 MAP4K1 (0.51) MAP4K1ELANEPKMPARP1

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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed