SCHEMBL6993907

SCHEMBL6993907

NC1CCN(C2CCN(c3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.67
ERBB2 P04626 5/20 0.67
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
GRM1 Q13255 1/20 0.46
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46
BRAF P15056 9/20 0.43
ERBB4 Q15303 1/20 0.41

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
SCHEMBL8317479 0.95 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989314 0.92 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996431 0.91 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997252 0.91 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988633 0.91 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996016 0.90 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998708 0.90 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998946 0.90 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998926 0.90 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997654 0.89 EGFR (0.69) EGFRERBB2MAPTHPGDHTT

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