SCHEMBL8313702

SCHEMBL8313702

NC1CCC(Nc2ncc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.64
ERBB2 P04626 3/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
CSNK2A1 P68400 1/20 0.45
BRAF P15056 1/20 0.45
CDK7 P50613 6/20 0.44
CDK9 P50750 5/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
MAPT P10636 1/20 0.42
BCL6 P41182 1/20 0.42
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42

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
SCHEMBL8313697 1.00 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8316240 0.95 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7587481 0.91 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6992157 0.91 EGFR (0.77) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8315344 0.90 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8315348 0.90 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8315620 0.90 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314200 0.88 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318062 0.88 EGFR (0.64) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314464 0.87 EGFR (0.63) 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