SCHEMBL8317704

SCHEMBL8317704

c1ccc2cc(Nc3ncnc4cnc(NC5CC5)nc34)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.58
ERBB2 P04626 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
FLT3 P36888 1/20 0.49
TYRO3 Q06418 1/20 0.49
MERTK Q12866 1/20 0.49
GAS6 Q14393 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
BRAF P15056 1/20 0.48
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
ULK1 O75385 2/20 0.44
ULK2 Q8IYT8 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8317471 0.84 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316240 0.84 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317453 0.84 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316032 0.83 EGFR (0.72) EGFRERBB2HPGDHTT
SCHEMBL8317928 0.83 EGFR (0.60) EGFRERBB2HPGDHTTMKNK1
SCHEMBL8316916 0.83 EGFR (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319428 0.83 EGFR (0.73) EGFRERBB2HPGDHTTBRAF
SCHEMBL7142831 0.83 EGFR (0.62) EGFRERBB2HPGDHTTCSNK2A2
SCHEMBL8312571 0.83 CSNK2A1 (0.60) EGFRERBB2HPGDHTTFLT3
SCHEMBL8318827 0.83 EGFR (0.57) EGFRERBB2HPGDHTTFLT3

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