SCHEMBL8569737

SCHEMBL8569737

Fc1ccc(Nc2ncnc3nc(N4CCN(C5CCNCC5)CC4)ncc23)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.53
ERBB2 P04626 3/20 0.53
ERBB4 Q15303 1/20 0.53
BCL6 P41182 2/20 0.49
MAPT P10636 1/20 0.48
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
GRM1 Q13255 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL8487452 0.86 EGFR (0.65) EGFRERBB2ERBB4BCL6MAPT
SCHEMBL6998926 0.79 EGFR (0.67) EGFRERBB2ERBB4BCL6MAPT
SCHEMBL4353234 0.76 EGFR (0.70) EGFRERBB2ERBB4BCL6MAPT
SCHEMBL8488091 0.76 EGFR (0.67) EGFRERBB2ERBB4BCL6MAPT
SCHEMBL8487730 0.76 EGFR (0.67) EGFRERBB2BCL6MAPTHPGD
SCHEMBL6989314 0.74 EGFR (0.70) EGFRERBB2MAPTGRM1HPGD
SCHEMBL6998946 0.74 EGFR (0.70) EGFRERBB2BCL6MAPTHPGD
SCHEMBL6997252 0.74 EGFR (0.69) EGFRERBB2ERBB4MAPTGRM1
SCHEMBL8488839 0.73 EGFR (0.73) EGFRERBB2ERBB4BCL6MAPT
SCHEMBL8488112 0.73 EGFR (0.73) EGFRERBB2ERBB4BCL6MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885226-A1 4-AMINO PYRIMIDINE DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032881-A1 4-AMINO PYRIMIDINE DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed