SCHEMBL8488129

SCHEMBL8488129

Cc1nc(Cl)nc2c(Nc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.56
ERBB2 P04626 4/20 0.56
APP P05067 1/20 0.51
KDR P35968 4/20 0.51
AURKA O14965 2/20 0.50
FBP1 P09467 2/20 0.50
INSR P06213 1/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
CLK1 P49759 1/20 0.50
EPHB4 P54760 1/20 0.50
TEK Q02763 1/20 0.50
AURKB Q96GD4 1/20 0.50
CD38 P28907 1/20 0.49
RPS6KB1 P23443 1/20 0.49
GRM1 Q13255 1/20 0.48
GRM4 Q14833 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8486331 0.80 EGFR (0.47) EGFRERBB2KDRAURKAFBP1
SCHEMBL8487459 0.78 EGFR (0.57) EGFRERBB2KDRAURKACD38
SCHEMBL8488253 0.78 EGFR (0.56) EGFRERBB2APPKDRAURKA
SCHEMBL8486781 0.78 EGFR (0.57) EGFRERBB2KDRGRM4
SCHEMBL8487455 0.78 EGFR (0.57) EGFRERBB2KDRAURKACD38
SCHEMBL30683235 0.78 EGFR (0.59) EGFRERBB2KDRAURKAFBP1
SCHEMBL26618910 0.78 EGFR (0.59) EGFRERBB2KDRAURKAFBP1
SCHEMBL8488224 0.78 EGFR (0.74) EGFRERBB2KDR
SCHEMBL8484645 0.78 EGFR (0.56) EGFRERBB2KDREPHB4
SCHEMBL8319146 0.77 EGFR (0.61) EGFRERBB2KDRAURKAFBP1

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