SCHEMBL6990908

SCHEMBL6990908

CC(Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.58
ERBB2 P04626 11/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
ERBB4 Q15303 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CSNK2A1 P68400 2/20 0.49
GRM1 Q13255 1/20 0.48
MAPT P10636 1/20 0.48
DYRK1A Q13627 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
SCHEMBL6999525 0.91 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999556 0.91 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6998518 0.91 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL6993963 0.90 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL6993701 0.88 EGFR (0.64) EGFRERBB2HPGDHTTERBB4
SCHEMBL6995214 0.87 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8314431 0.85 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL6997525 0.85 EGFR (0.67) EGFRERBB2HPGDHTTERBB4
SCHEMBL6994929 0.85 EGFR (0.60) EGFRERBB2HPGDHTTERBB4
SCHEMBL6997165 0.84 EGFR (0.57) EGFRERBB2HPGDHTTERBB4

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-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed