SCHEMBL4356375

SCHEMBL4356375

CCC(Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
ERBB2 P04626 6/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.55
ERBB4 Q15303 3/20 0.46
JAK3 P52333 1/20 0.46
FBP1 P09467 1/20 0.46
GRM1 Q13255 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
SCHEMBL4356366 0.86 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993701 0.85 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319458 0.84 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995214 0.82 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990991 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314431 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316049 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8313815 0.80 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8312893 0.80 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8798694 0.80 EGFR (0.63) EGFRERBB2HPGDHTTMAPT

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