SCHEMBL8316151

SCHEMBL8316151

Fc1ccc(Nc2ncnc3cnc(NC4CC4)nc23)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.64
ERBB2 P04626 1/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
ULK1 O75385 16/20 0.50
ULK2 Q8IYT8 5/20 0.48
BRAF P15056 3/20 0.47

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
SCHEMBL8317453 0.88 EGFR (0.69) EGFRERBB2HPGDHTTULK1
SCHEMBL8314263 0.85 EGFR (0.84) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316261 0.85 EGFR (0.68) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315463 0.82 EGFR (0.61) EGFRERBB2HPGDHTTULK1
SCHEMBL8318987 0.82 CTSC (0.61) EGFRERBB2HPGDHTT
SCHEMBL8317815 0.82 EGFR (0.53) EGFRERBB2HPGDHTTULK1
SCHEMBL8314154 0.82 BRAF (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997208 0.81 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316770 0.81 EGFR (0.77) EGFRERBB2HPGDHTTBRAF
SCHEMBL6997215 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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