SCHEMBL6992399

SCHEMBL6992399

CCNC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.71
ERBB2 P04626 6/20 0.71
MAPT P10636 1/20 0.71
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
BRAF P15056 4/20 0.46
FBP1 P09467 1/20 0.44
GRM1 Q13255 1/20 0.43
ERBB4 Q15303 3/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6995165 0.95 EGFR (0.76) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998075 0.91 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486051 0.89 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990205 0.87 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317671 0.87 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315679 0.87 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316771 0.86 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316668 0.86 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8313724 0.85 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997654 0.85 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