SCHEMBL8486755

SCHEMBL8486755

CN1CCC2(CC1)CN(c1ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n1)C2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.65
ERBB2 P04626 6/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
MAPT P10636 1/20 0.63
BRAF P15056 7/20 0.49
ERBB4 Q15303 3/20 0.47
JAK3 P52333 1/20 0.47
BCL6 P41182 1/20 0.47
GRM1 Q13255 1/20 0.46

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
SCHEMBL8486071 0.95 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL8485708 0.95 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8484324 0.92 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488324 0.89 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001526 0.86 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989673 0.86 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL8483882 0.85 EGFR (0.63) EGFRERBB2HPGDHTTMAPT
SCHEMBL8487643 0.85 EGFR (0.63) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316917 0.85 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL6361454 0.84 EGFR (0.66) 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