SCHEMBL8487889

SCHEMBL8487889

CS(=O)(=O)N1CCC(C2CCN(c3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.70
ERBB2 P04626 3/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
BRAF P15056 14/20 0.49
GRM1 Q13255 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
SCHEMBL6989673 0.89 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996974 0.87 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487996 0.87 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL4353234 0.87 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995085 0.87 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL637276 0.86 EGFR (0.81) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990205 0.86 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL8483717 0.86 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315679 0.86 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317479 0.86 EGFR (0.73) EGFRERBB2MAPTHPGDHTT

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