SCHEMBL6996263

SCHEMBL6996263

CN1CCC(N(C)c2ncc3ncnc(Nc4cccc([N+](=O)[O-])c4)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.51
EGFR P00533 8/20 0.49
ABCG2 Q9UNQ0 2/20 0.47
BRD4 O60885 1/20 0.45
ERBB2 P04626 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
EIF2AK2 P19525 1/20 0.43
PKM P14618 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
SCHEMBL8316210 0.89 EGFR (0.50) BRAFEGFRABCG2
SCHEMBL8316205 0.89 EGFR (0.50) BRAFEGFRABCG2
SCHEMBL6994621 0.87 BRAF (0.48) BRAFEGFRERBB2HPGDHTT
SCHEMBL6990280 0.85 EGFR (0.51) BRAFEGFRBRD4ERBB2HPGD
SCHEMBL8317520 0.84 EGFR (0.63) BRAFEGFRABCG2BRD4ERBB2
SCHEMBL6997891 0.83 BRAF (0.56) BRAFEGFRABCG2ERBB2HPGD
SCHEMBL6993268 0.83 BRAF (0.55) BRAFEGFRABCG2ERBB2HPGD
SCHEMBL8451632 0.83 BRAF (0.52) BRAFEGFRERBB2HPGDHTT
SCHEMBL6997218 0.81 BRAF (0.50) BRAFEGFRERBB2HPGDHTT
SCHEMBL6996275 0.81 EGFR (0.60) BRAFEGFRERBB2HPGDHTT

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