SCHEMBL8315938

SCHEMBL8315938

Clc1cccc(Nc2ncnc3cnc(NC4CCOC4)nc23)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.58
EGFR P00533 11/20 0.54
ERBB2 P04626 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 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
SCHEMBL8317806 0.94 EGFR (0.58) BRAFEGFRERBB2HPGDHTT
SCHEMBL7142831 0.89 EGFR (0.62) EGFRERBB2HPGDHTTCSNK2A2
SCHEMBL8315499 0.89 EGFR (0.63) BRAFEGFR
SCHEMBL8316398 0.89 EGFR (0.64) BRAFEGFRERBB2HPGDHTT
SCHEMBL8314242 0.87 EGFR (0.59) BRAFEGFRERBB2HPGDHTT
SCHEMBL8318411 0.87 EGFR (0.71) BRAFEGFRERBB2HPGDHTT
SCHEMBL8316132 0.86 BRAF (0.53) BRAFEGFRERBB2HPGDHTT
SCHEMBL8318128 0.84 BRAF (0.54) BRAFEGFRERBB2HPGDHTT
SCHEMBL8317377 0.84 EGFR (0.58) EGFRERBB2HPGDHTTCSNK2A2
SCHEMBL8317294 0.84 EGFR (0.58) EGFRERBB2HPGDHTTCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed