SCHEMBL6997218

SCHEMBL6997218

CN1CCC(N(C)c2ncc3ncnc(Nc4cccc(OC(F)(F)F)c4)c3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.50
PIM1 P11309 7/20 0.50
EGFR P00533 4/20 0.48
ERBB2 P04626 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MAP4K1 Q92918 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
SCHEMBL6997891 0.88 BRAF (0.56) BRAFEGFRERBB2HPGDHTT
SCHEMBL8451632 0.82 BRAF (0.52) BRAFEGFRERBB2HPGDHTT
SCHEMBL6993268 0.82 BRAF (0.55) BRAFEGFRERBB2HPGDHTT
SCHEMBL6996275 0.82 EGFR (0.60) BRAFEGFRERBB2HPGDHTT
SCHEMBL6996263 0.81 BRAF (0.51) BRAFEGFRERBB2HPGDHTT
SCHEMBL6986988 0.79 EGFR (0.72) BRAFEGFRERBB2HPGDHTT
SCHEMBL8314012 0.78 SYK (0.53) BRAFPIM1EGFRERBB2HPGD
SCHEMBL6996977 0.74 SYK (0.50) BRAFPIM1EGFRERBB2
SCHEMBL6990280 0.74 EGFR (0.51) BRAFEGFRERBB2HPGDHTT
SCHEMBL6994621 0.74 BRAF (0.48) 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 3 patents. 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
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed