SCHEMBL6990920

SCHEMBL6990920

O=C1CN(C2CCC(Nc3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CCN1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.67
ERBB2 P04626 5/20 0.67
HPGD P15428 1/20 0.67
HTT P42858 1/20 0.67
IRAK4 Q9NWZ3 2/20 0.52
CSNK2A1 P68400 1/20 0.48
MAPT P10636 1/20 0.47
ERBB4 Q15303 1/20 0.41
BCL6 P41182 2/20 0.41
BRAF P15056 2/20 0.40
GRM1 Q13255 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
SCHEMBL6994986 0.89 EGFR (0.73) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8315818 0.88 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7001287 0.86 EGFR (0.76) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8315823 0.86 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7587164 0.86 EGFR (0.67) EGFRERBB2HPGDHTTIRAK4
SCHEMBL7587170 0.86 EGFR (0.67) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6995247 0.86 EGFR (0.62) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6993747 0.86 EGFR (0.75) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8314263 0.84 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6990223 0.84 EGFR (0.73) EGFRERBB2HPGDHTTIRAK4

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