SCHEMBL8486998

SCHEMBL8486998

COC(=O)N1CCN(C(=O)N(C)c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.54
ERBB2 P04626 7/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.51
BRAF P15056 1/20 0.45
ERBB4 Q15303 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6995799 0.92 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL8485050 0.89 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL8562290 0.85 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488608 0.83 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991387 0.83 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL8487002 0.82 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8522095 0.82 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319916 0.81 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483717 0.81 EGFR (0.67) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315593 0.81 EGFR (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed