SCHEMBL25949320

SCHEMBL25949320

CC(C)(C)Cc1ncnc2[nH]c(Cn3cccc(N)c3=O)nc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.34
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL21703085 0.89 MAP4K1 (0.38) MAP4K1KDM4EALDH1A1
SCHEMBL21702894 0.85 MAP4K1 (0.36) MAP4K1ELANE
SCHEMBL21702897 0.82 MEN1 (0.38) MAP4K1KDM4EMEN1RGS12USP2
SCHEMBL21685592 0.77 MAP4K1 (0.46) MAP4K1ELANE
SCHEMBL23453061 0.77 MAP4K1 (0.39) MAP4K1ELANEMEN1POLBMAPT
SCHEMBL21703150 0.75 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1
SCHEMBL25949329 0.75 MAP4K1 (0.52) MAP4K1
SCHEMBL21685522 0.74 MAP4K1 (0.45) MAP4K1
SCHEMBL21702899 0.74 MAP4K1 (0.46) MAP4K1KDM4EMEN1ALDH1A1POLB
SCHEMBL25938264 0.74 MAP4K1 (0.36) MAP4K1ELANEKDM4EMEN1RGS12

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