SCHEMBL8317828

SCHEMBL8317828

N#CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.74
ERBB2 P04626 5/20 0.74
HPGD P15428 1/20 0.74
HTT P42858 1/20 0.74
MAPT P10636 1/20 0.51
CSNK2A1 P68400 1/20 0.46
BCL6 P41182 2/20 0.44
GRM1 Q13255 1/20 0.43
BRAF P15056 2/20 0.42
ERBB4 Q15303 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 1/20 0.40

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
SCHEMBL6990181 0.96 EGFR (0.80) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315459 0.87 EGFR (0.90) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.85 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL158563 0.85 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29387986 0.85 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
SCHEMBL8320210 0.85 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL7002028 0.84 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29403789 0.84 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29409569 0.84 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314537 0.84 EGFR (0.75) 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