SCHEMBL4358041

SCHEMBL4358041

Fc1ccc(Nc2ncnc3cc(N4CCC(C5CCNCC5)CC4)ncc23)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.56
ERBB2 P04626 4/20 0.56
ERBB4 Q15303 2/20 0.56
GRM1 Q13255 1/20 0.49
FBP1 P09467 2/20 0.48
KDR P35968 2/20 0.48
EPHB4 P54760 2/20 0.48
AURKA O14965 1/20 0.48
INSR P06213 1/20 0.48
PDGFRB P09619 1/20 0.48
FLT4 P35916 1/20 0.48
CLK1 P49759 1/20 0.48
TEK Q02763 1/20 0.48
AURKB Q96GD4 1/20 0.48
MAPT P10636 1/20 0.47
EPHA2 P29317 1/20 0.46

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
SCHEMBL8571074 0.88 GRM1 (0.54) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL8565015 0.84 EGFR (0.66) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL4353234 0.81 EGFR (0.70) EGFRERBB2ERBB4GRM1MAPT
SCHEMBL8567062 0.80 EGFR (0.56) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL4350714 0.80 GRM1 (0.62) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL28411490 0.77 EGFR (0.60) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL8562436 0.75 EGFR (0.68) EGFRERBB2ERBB4GRM1FBP1
SCHEMBL8488091 0.75 EGFR (0.67) EGFRERBB2ERBB4GRM1MAPT
SCHEMBL8486556 0.75 EGFR (0.53) EGFRERBB2ERBB4KDRMAPT
SCHEMBL8569737 0.73 EGFR (0.53) EGFRERBB2ERBB4GRM1MAPT

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-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed