SCHEMBL8318671

SCHEMBL8318671

CC(=O)NC1CCC(Nc2ncc3ncnc(Nc4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.56
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
EGFR P00533 10/20 0.56
ERBB2 P04626 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
BRAF P15056 2/20 0.49
CDK1 P06493 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PDGFRA P16234 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 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
SCHEMBL8318663 1.00 CSNK2A1 (0.56) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL7142831 0.91 EGFR (0.62) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8315708 0.90 EGFR (0.62) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315704 0.90 EGFR (0.62) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318254 0.89 EGFR (0.63) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318278 0.89 EGFR (0.63) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316932 0.88 EGFR (0.61) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8316938 0.88 EGFR (0.61) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8313505 0.88 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2
SCHEMBL8313509 0.88 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2BEGFRERBB2

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