SCHEMBL8315205

SCHEMBL8315205

Oc1ccccc1CCNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.53
ERBB2 P04626 4/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.46
GRM1 Q13255 1/20 0.46
CSNK2A1 P68400 3/20 0.44

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
SCHEMBL6993122 0.84 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989432 0.82 STK17A (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990324 0.81 STK17A (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315925 0.81 EGFR (0.55) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992551 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990945 0.81 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317956 0.80 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317514 0.80 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319127 0.80 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488667 0.80 CSNK2A1 (0.62) 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
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed