SCHEMBL8317593

SCHEMBL8317593

CC(=O)N1CCCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.70
ERBB2 P04626 3/20 0.70
HPGD P15428 1/20 0.70
HTT P42858 1/20 0.70
BTK Q06187 2/20 0.55
JAK3 P52333 1/20 0.55
MAPT P10636 1/20 0.51
CSNK2A1 P68400 1/20 0.49
MAPK3 P27361 2/20 0.49
SYK P43405 1/20 0.46
BRAF P15056 1/20 0.45
CCNK O75909 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 2/20 0.44
CDK12 Q9NYV4 2/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL8317727 0.95 EGFR (0.74) EGFRERBB2HPGDHTTBTK
SCHEMBL8314697 0.92 EGFR (0.68) EGFRERBB2HPGDHTTBTK
SCHEMBL6992445 0.88 EGFR (0.81) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317606 0.87 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6998610 0.87 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990100 0.87 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316491 0.87 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318350 0.86 EGFR (0.71) EGFRERBB2HPGDHTTJAK3
SCHEMBL7001920 0.85 EGFR (0.72) EGFRERBB2HPGDHTTJAK3
SCHEMBL6989080 0.85 EGFR (0.72) EGFRERBB2HPGDHTTJAK3

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