SCHEMBL8487452

SCHEMBL8487452

Fc1ccc(Nc2ncnc3cnc(N4CCN(C5CCNCC5)CC4)nc23)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.65
ERBB2 P04626 4/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ERBB4 Q15303 1/20 0.53
BCL6 P41182 2/20 0.49
BRAF P15056 5/20 0.44
GRM1 Q13255 1/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL6998926 0.93 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL4353234 0.90 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487730 0.90 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989314 0.89 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488091 0.88 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998946 0.88 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997252 0.88 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488839 0.87 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488112 0.87 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993907 0.86 EGFR (0.67) 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 4 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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP 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