SCHEMBL23937835

SCHEMBL23937835

CNC(=O)c1c[nH]c2c1CCOCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
CREBBP Q92793 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
ADORA2A P29274 1/20 0.31
GAA P10253 1/20 0.31
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
BRD4 O60885 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
SCHEMBL23937644 0.82 ALDH1A1 (0.40) CREBBPADRA2AADRA1AUSP2ALDH1A1
SCHEMBL20674216 0.69 BRD4 (0.41) KAT2BBAZ2BGAABRD4
SCHEMBL21959624 0.69 KAT2B (0.38) KAT2BBAZ2BGAABRD4
SCHEMBL20631710 0.66 KAT2B (0.41) KAT2BBAZ2BALDH1A1GAABRD4
SCHEMBL1515397 0.66 BAZ2B (0.38) KAT2BBAZ2BCREBBPALDH1A1BRD4
SCHEMBL29133954 0.60 MTNR1B (0.46) KAT2BBAZ2BGAA
SCHEMBL30184412 0.60 MTNR1B (0.46) KAT2BBAZ2BGAA
SCHEMBL22289913 0.60 GFER (0.46) USP2ALDH1A1MAPK1
SCHEMBL25104147 0.59 MAOA (0.42) KAT2BBAZ2BALDH1A1GAABRD4
SCHEMBL19953833 0.59 HDAC2 (0.33) KAT2BBAZ2BALDH1A1MAPK1

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed