SCHEMBL25952900

SCHEMBL25952900

CC(C)Cc1c(F)cnc2cc(Cn3cccc(N)c3=O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.51
PARP1 P09874 1/20 0.36
ELANE P08246 1/20 0.33
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL21685133 0.88 MAP4K1 (0.41) MAP4K1PARP1ELANEPKM
SCHEMBL21703398 0.83 MAP4K1 (0.38) MAP4K1PARP1ELANENOS1NOS2
SCHEMBL23452918 0.81 MAP4K1 (0.41) MAP4K1PARP1ELANENOS1NOS2
SCHEMBL25949955 0.76 MAP4K1 (0.57) MAP4K1
SCHEMBL21703101 0.76 MAP4K1 (0.41) MAP4K1PARP1ELANEPKM
SCHEMBL23452892 0.75 MAP4K1 (0.44) MAP4K1ELANE
SCHEMBL25949945 0.74 MAP4K1 (0.71) MAP4K1
SCHEMBL25950538 0.74 MAP4K1 (0.46) MAP4K1PKM
SCHEMBL21685182 0.74 MAP4K1 (0.38) MAP4K1PARP1ELANE
SCHEMBL21703352 0.72 MAP4K1 (0.50) MAP4K1PARP1ELANE

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-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed