SCHEMBL25875018

SCHEMBL25875018

COc1cc(N2CCC(N3CCN(OC(=O)c4ccccc4)CC3)CC2)c(C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.44
ALDH1A1 P00352 9/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
MCOLN1 Q9GZU1 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
ALK Q9UM73 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38

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
SCHEMBL25260366 0.79 SMN1; SMN2 (0.49) KDM4EALDH1A1HTTPOLBTDP1
SCHEMBL517399 0.78 EGFR (0.45) INSRIGF1RALK
SCHEMBL30018553 0.78 EGFR (0.45) INSRIGF1RALK
SCHEMBL10207156 0.78 PDCD1 (0.41) ALDH1A1L3MBTL1GAA
SCHEMBL23759617 0.77 HTR1A (0.44) KDM4EALDH1A1HTTDRD2DRD3
SCHEMBL3122615 0.77 CCR4 (0.42) L3MBTL1
SCHEMBL30936906 0.76 GAA (0.45) KDM4EALDH1A1HTTGAAALOX12
SCHEMBL24204769 0.76 GAA (0.45) KDM4EALDH1A1HTTGAAALOX12
SCHEMBL23154031 0.76 EGFR (0.41) KDM4EALDH1A1HTTDRD2DRD3
SCHEMBL311360 0.75 SMN1; SMN2 (0.41) KDM4EALDH1A1HTTTDP1GAA

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-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 EP disclosed