SCHEMBL8614901

SCHEMBL8614901

COc1cc2cnc(Nc3ccc(OC(C)c4ncc[nH]4)c(Cl)c3)nc2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 4/20 0.42
IGF1R P08069 1/20 0.42
EPHB4 P54760 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
BRAF P15056 1/20 0.40
FLT3 P36888 1/20 0.39
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8306865 0.80 EGFR (0.58) EPHB4MAPTMEN1KMT2ALMNA
SCHEMBL2205050 0.77 KDM4E (0.52) IGF1REPHB4MAPTGAASTK17B
SCHEMBL8618527 0.73 ERBB2 (0.59) IGF1RSTK17BSTK17A
SCHEMBL7801861 0.73 KDM4E (0.55) MAPTSTK17ABRAFKDM4EALDH1A1
SCHEMBL8614905 0.71 BRD4 (0.44) BCL6IGF1REPHB4MAPTGAA
SCHEMBL28221880 0.70 PDGFRB (0.64) MAPTMEN1KMT2ALMNABRAF
SCHEMBL8309503 0.69 POLB (0.45) MAPTGAANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL8615582 0.69 EGFR (0.45) BCL6IGF1REPHB4MAPTGAA
SCHEMBL8305217 0.69 EGFR (0.58) FLT3ABCG2KDR
SCHEMBL8812882 0.68 PDGFRB (0.57) MAPTGAABRAFKDM4EALDH1A1

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
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed