SCHEMBL24328564

SCHEMBL24328564

CC1Cc2c(N)ccc(N3CCC(N(C)C)CC3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
NR4A1 P22736 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
TIPARP Q7Z3E1 1/20 0.34
MAP4K4 O95819 1/20 0.34
PTPN11 Q06124 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL24328350 0.82 PRKCZ (0.38) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL29661308 0.82 PRKCZ (0.38) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL24328515 0.82 PRKCZ (0.40) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL24327497 0.81 GAA (0.36) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL29661326 0.78 PARP1 (0.40) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL24328563 0.78 PARP1 (0.40) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL24327352 0.76 POLB (0.41) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL24327498 0.74 TIPARP (0.34) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL29661397 0.74 TIPARP (0.34) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL15586058 0.74 ALDH1A1 (0.50) GAAMEN1KMT2AUSP2ALDH1A1

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-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed