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SCHEMBL8317350

SCHEMBL8317350

CN(C)C(=O)C1CCC(CNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.56
▸ ERBB2 P04626 10/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ MAPT P10636 1/20 0.53
▸ CSNK2A1 P68400 3/20 0.45
▸ SOS1 Q07889 2/20 0.45
▸ ERBB4 Q15303 5/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL8317353 1.00 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319396 0.90 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319391 0.90 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316342 0.90 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316336 0.90 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319506 0.88 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319512 0.88 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.85 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996566 0.85 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997355 0.85 EGFR (0.61) EGFRERBB2HPGDHTTMAPT

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