SCHEMBL6996977

SCHEMBL6996977

CSc1ncc2ncnc(Nc3cccc(OC(F)(F)F)c3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
PIM1 P11309 3/20 0.49
BRAF P15056 5/20 0.48
EGFR P00533 10/20 0.47
CTSC P53634 1/20 0.47
ERBB2 P04626 1/20 0.44
ERBB3 P21860 1/20 0.44
ERBB4 Q15303 1/20 0.44

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
SCHEMBL6992546 0.91 EGFR (0.45) SYKPIM1BRAFEGFR
SCHEMBL8314069 0.87 EGFR (0.57) EGFR
SCHEMBL6997172 0.85 EGFR (0.50) EGFR
SCHEMBL8317468 0.84 EGFR (0.57) BRAFEGFR
SCHEMBL8314131 0.82 EGFR (0.53) EGFR
SCHEMBL6990925 0.82 SYK (0.48) SYKPIM1BRAFEGFRCTSC
SCHEMBL6995534 0.82 BRAF (0.49) SYKPIM1BRAFEGFRCTSC
SCHEMBL6996346 0.82 EGFR (0.47) EGFRERBB2ERBB4
SCHEMBL6992120 0.81 EGFR (0.70) EGFRERBB2
SCHEMBL8312894 0.81 EGFR (0.51) SYKEGFR

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
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-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