SCHEMBL6994978

SCHEMBL6994978

CCN1CCCC1N(C)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.58
ERBB2 P04626 5/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
MAP3K8 P41279 2/20 0.44
FBP1 P09467 1/20 0.42
GRM1 Q13255 1/20 0.42
ERBB4 Q15303 3/20 0.41
DYRK1A Q13627 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
SCHEMBL6996373 0.84 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL6986988 0.82 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994982 0.81 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990921 0.79 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996564 0.79 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316549 0.79 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316553 0.79 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319823 0.79 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989700 0.79 EGFR (0.56) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995224 0.79 EGFR (0.56) 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