SCHEMBL6999525

SCHEMBL6999525

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.57
ERBB2 P04626 8/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
GRM1 Q13255 1/20 0.50
ERBB4 Q15303 2/20 0.49
SYK P43405 2/20 0.49
DYRK1A Q13627 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPT P10636 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL6998518 0.92 EGFR (0.56) EGFRERBB2HPGDHTTGRM1
SCHEMBL6990908 0.91 EGFR (0.58) EGFRERBB2HPGDHTTGRM1
SCHEMBL6999556 0.91 EGFR (0.57) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993963 0.89 EGFR (0.56) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993701 0.87 EGFR (0.64) EGFRERBB2HPGDHTTGRM1
SCHEMBL6995214 0.86 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL8484377 0.85 EGFR (0.64) EGFRERBB2HPGDHTTGRM1
SCHEMBL8314431 0.85 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6990991 0.85 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6997525 0.84 EGFR (0.67) 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