SCHEMBL24327052

SCHEMBL24327052

CCOc1cc(N2CCC(NCCNC)CC2)c(C)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SSTR5 P35346 1/20 0.34
LGMN Q99538 1/20 0.34
BRAF P15056 1/20 0.33
GAA P10253 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD2 P14416 2/20 0.32
MAPT P10636 4/20 0.32
RAD52 P43351 1/20 0.32
GFER P55789 1/20 0.32
MLNR O43193 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL22942152 0.88 CARM1 (0.38) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL24204819 0.82 EPHX1 (0.39) KDM4EALDH1A1SSTR5LGMNGAA
SCHEMBL23153933 0.77 HTR4 (0.38) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL23759702 0.76 CARM1 (0.38) CARM1PRMT6PRMT8DRD2ADRA2B
SCHEMBL25011531 0.75 GAA (0.42) GAASMN1; SMN2
SCHEMBL310526 0.74 EGFR (0.39) KDM4EALDH1A1LGMNMAPTMEN1
SCHEMBL24993039 0.73 CARM1 (0.39) CARM1PRMT6PRMT8
SCHEMBL24107900 0.73 NTSR1 (0.33) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL26418294 0.72 CARM1 (0.44) CARM1PRMT6PRMT8ALDH1A1GAA
SCHEMBL23759658 0.71 CARM1 (0.40) CARM1PRMT6PRMT8KDM4EALDH1A1

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