SCHEMBL8484377

SCHEMBL8484377

CC(=O)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.64
ERBB2 P04626 11/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
ERBB4 Q15303 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GRM1 Q13255 1/20 0.54
DYRK1A Q13627 1/20 0.51
MAPT P10636 1/20 0.51
CSNK2A1 P68400 1/20 0.50
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50

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
SCHEMBL8317956 0.86 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999525 0.85 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6995363 0.85 EGFR (0.55) EGFRERBB2HPGDHTTERBB4
SCHEMBL6990337 0.84 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL8318688 0.84 EGFR (0.73) EGFRERBB2HPGDHTTERBB4
SCHEMBL8318694 0.84 EGFR (0.73) EGFRERBB2HPGDHTTERBB4
SCHEMBL6990908 0.84 EGFR (0.58) EGFRERBB2HPGDHTTERBB4
SCHEMBL8317835 0.84 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL8315925 0.83 EGFR (0.55) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999556 0.83 EGFR (0.57) EGFRERBB2HPGDHTTERBB4

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