SCHEMBL7092722

SCHEMBL7092722

Fc1ccc(Nc2ncnc3cnc(NC4CCOCC4)nc23)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.77
ERBB2 P04626 3/20 0.77
HPGD P15428 1/20 0.77
HTT P42858 1/20 0.77
BRAF P15056 6/20 0.56
CSNK2A1 P68400 1/20 0.53
MAPT P10636 1/20 0.52
GRM1 Q13255 1/20 0.48
BCL6 P41182 1/20 0.46

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
SCHEMBL8318411 0.94 EGFR (0.71) EGFRERBB2HPGDHTTBRAF
SCHEMBL8314263 0.93 EGFR (0.84) EGFRERBB2HPGDHTTBRAF
SCHEMBL8314200 0.91 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8486993 0.90 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL6992091 0.90 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8315232 0.89 EGFR (0.74) EGFRERBB2HPGDHTTBRAF
SCHEMBL7587481 0.89 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL6992157 0.89 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997208 0.89 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997215 0.89 EGFR (0.77) EGFRERBB2HPGDHTTBRAF

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 2 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-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed