SCHEMBL6996275

SCHEMBL6996275

CN1CCC(N(C)c2ncc3ncnc(Nc4ccc(F)c(F)c4)c3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.60
ERBB2 P04626 2/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
BRAF P15056 10/20 0.52
MAPT P10636 1/20 0.47
KDR P35968 1/20 0.42
AXL P30530 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
SCHEMBL6986988 0.92 EGFR (0.72) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997891 0.84 BRAF (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL6993268 0.82 BRAF (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL8451632 0.82 BRAF (0.52) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997218 0.82 BRAF (0.50) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997349 0.81 EGFR (0.57) EGFRERBB2HPGDHTTBRAF
SCHEMBL6994621 0.81 BRAF (0.48) EGFRERBB2HPGDHTTBRAF
SCHEMBL6990280 0.81 EGFR (0.51) EGFRERBB2HPGDHTTBRAF
SCHEMBL6996263 0.81 BRAF (0.51) EGFRERBB2HPGDHTTBRAF
SCHEMBL6996564 0.80 EGFR (0.58) EGFRERBB2HPGDHTTMAPT

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