SCHEMBL8614905

SCHEMBL8614905

COc1cc2cnc(Nc3ccc(OCc4nccn4C)c(Cl)c3)nc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
EPHB4 P54760 2/20 0.44
ERBB2 P04626 2/20 0.44
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
IGF1R P08069 2/20 0.42
GAA P10253 1/20 0.42
IDH1 O75874 1/20 0.42
EGFR P00533 3/20 0.41
FLT3 P36888 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
INSR P06213 1/20 0.41
AXL P30530 1/20 0.41

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
SCHEMBL8618527 0.82 ERBB2 (0.59) ERBB2STK17BSTK17AIGF1REGFR
SCHEMBL8308738 0.80 KDR (0.66) EPHB4ERBB2EPHA2KDREGFR
SCHEMBL8618439 0.79 IGF1R (0.62) ERBB2IGF1REGFRMAP2K1
Hydrochloric Acid SCHEMBL8620309 0.79 IGF1R (0.61) ERBB2IGF1REGFRMAP2K1
SCHEMBL2205050 0.78 KDM4E (0.52) BRD4EPHB4ERBB2EPHA2KDR
Hydrochloric Acid SCHEMBL8615582 0.77 EGFR (0.45) EPHB4ERBB2EPHA2KDRSTK17B
SCHEMBL7801861 0.73 KDM4E (0.55) KDRSTK17AMAPTEGFRMAP2K1
SCHEMBL8614901 0.71 BCL6 (0.42) BRD4EPHB4KDRSTK17BSTK17A
SCHEMBL360021 0.71 EGFR (0.53) KDRMAPTEGFRFLT3RET
SCHEMBL28221880 0.70 PDGFRB (0.64) ERBB2MAPTMEN1LMNAKMT2A

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