SCHEMBL8488002

SCHEMBL8488002

O=C(c1ccc(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.57
JAK2 O60674 1/20 0.57
EGFR P00533 12/20 0.56
ERBB2 P04626 9/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NTRK1 P04629 2/20 0.55
ERBB4 Q15303 4/20 0.50
JAK3 P52333 1/20 0.50
PTK2 Q05397 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAPK10 P53779 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL8487596 0.92 EGFR (0.59) LRRK2JAK2EGFRERBB2HPGD
SCHEMBL8314787 0.86 EGFR (0.61) EGFRERBB2HPGDHTTNTRK1
SCHEMBL6997165 0.84 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999566 0.83 EGFR (0.72) EGFRERBB2HPGDHTTERBB4
SCHEMBL8489312 0.82 EGFR (0.63) EGFRERBB2HPGDHTTERBB4
SCHEMBL6994175 0.82 EGFR (0.69) EGFRERBB2HPGDHTTERBB4
SCHEMBL6994172 0.82 EGFR (0.69) EGFRERBB2HPGDHTTERBB4
SCHEMBL6994799 0.82 EGFR (0.53) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999193 0.82 EGFR (0.65) EGFRERBB2HPGDHTTERBB4
SCHEMBL8485697 0.82 EGFR (0.68) 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