SCHEMBL8438744

SCHEMBL8438744

COc1ccc(OC)c(C#CCc2ccc3ncncc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.58
DHFR P00374 4/20 0.48
FGFR4 P22455 1/20 0.43
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
PDE10A Q9Y233 3/20 0.39
ALOX5 P09917 1/20 0.37
CSF1R P07333 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL7796162 0.83 EGFR (0.63) EGFRDHFRFGFR4PDGFRBPDGFRA
SCHEMBL8434815 0.78 EGFR (0.53) EGFRPDGFRBPDGFRAKIT
SCHEMBL3372138 0.75 EGFR (1.00) EGFRFGFR4PDGFRBPDGFRAMEN1
Hydrochloric Acid SCHEMBL28032872 0.74 EGFR (0.96) EGFRFGFR4PDGFRBPDGFRAMEN1
SCHEMBL7804848 0.72 EGFR (0.68) EGFRDHFRFGFR4PDGFRBPDGFRA
SCHEMBL28281136 0.72 EGFR (0.64) EGFRDHFRFGFR4PDE10AMEN1
SCHEMBL28158032 0.68 EGFR (0.76) EGFRFGFR4PDGFRBPDGFRAKMT2A
SCHEMBL29975310 0.68 EGFR (0.61) EGFRMEN1MAPTKMT2ATDP1
Biphenyl SCHEMBL28023494 0.67 EGFR (0.79) EGFRFGFR4PDGFRBPDGFRACSF1R
SCHEMBL9971309 0.67 EGFR (0.51) EGFRFGFR4ALOX5

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-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US disclosed