SCHEMBL24328515

SCHEMBL24328515

CN(C)C1CCN(c2ccc(N)c3c2CCCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.40
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CXCR4 P61073 2/20 0.35
CYP2C9 P11712 1/20 0.35
TIPARP Q7Z3E1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
MAP4K4 O95819 1/20 0.34
PTPN11 Q06124 1/20 0.34
NR4A1 P22736 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PTK2B Q14289 1/20 0.33
KDM4E B2RXH2 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 0.97 PRKCZ (0.38) PRKCZGAAMEN1KMT2AUSP2
SCHEMBL29661308 0.97 PRKCZ (0.38) PRKCZGAAMEN1KMT2AUSP2
SCHEMBL24328564 0.82 GAA (0.43) GAAMEN1KMT2AUSP2L3MBTL3
SCHEMBL22860571 0.82 PRKCZ (0.39) PRKCZL3MBTL3PDCD1CD274CXCR4
SCHEMBL24327497 0.81 GAA (0.36) GAAMEN1KMT2AUSP2L3MBTL3
SCHEMBL7426055 0.76 KDM4E (0.51) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL24328563 0.75 PARP1 (0.40) GAAMEN1KMT2AUSP2L3MBTL3
SCHEMBL29661326 0.75 PARP1 (0.40) GAAMEN1KMT2AUSP2L3MBTL3
SCHEMBL24327382 0.74 ALDH1A1 (0.42) GAAMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL24327498 0.74 TIPARP (0.34) GAAMEN1KMT2AUSP2L3MBTL3

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