SCHEMBL25899546

SCHEMBL25899546

CC(=O)Nc1cnc(N)c2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.43
MAP4K1 Q92918 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
ATR Q13535 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK10 P53779 1/20 0.39
EGFR P00533 1/20 0.39
PIK3C3 Q8NEB9 5/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
NCOA1 Q15788 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL4021056 0.80 EP300 (0.51) CHUKKMT2AMEN1MAPK10KDM4E
SCHEMBL4023758 0.77 CHUK (0.44) CHUKMAP4K1KMT2AMEN1MAPK10
SCHEMBL5657826 0.75 RXFP1 (0.45) CHUKKMT2AMEN1MAPK10KDM4E
SCHEMBL5657172 0.74 RXFP1 (0.64) CHUKKMT2AMEN1MAPK10EGFR
SCHEMBL14357917 0.74 HDAC1 (0.46) CHUKKMT2AMEN1KDM4EALDH1A1
SCHEMBL9426430 0.74 KDM4E (0.50) CHUKKMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29373586 0.72 HDAC1 (0.45) CHUKKMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5749683 0.72 HDAC1 (0.45) CHUKKMT2AMEN1KDM4EALDH1A1
SCHEMBL4019913 0.72 CHUK (0.45) CHUKMAP4K1MAPK10KDM4EALDH1A1
SCHEMBL25909532 0.71 RECQL (0.46) ALDH1A1

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed