SCHEMBL8317856

SCHEMBL8317856

Fc1ccc(Nc2ncnc3cnc(N4CCN(CN5CCOCC5)CC4)nc23)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.63
ERBB2 P04626 9/20 0.63
MAPT P10636 2/20 0.63
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ERBB4 Q15303 5/20 0.52
JAK3 P52333 1/20 0.52
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50
EPHB6 O15197 1/20 0.50
ABCC4 O15439 1/20 0.50
DAPK3 O43293 1/20 0.50
RIPK2 O43353 1/20 0.50
NR1I2 O75469 1/20 0.50
RPS6KA4 O75676 1/20 0.50
STK17B O94768 1/20 0.50
STK10 O94804 1/20 0.50
PRKD3 O94806 1/20 0.50
ABCB11 O95342 1/20 0.50
MAP4K4 O95819 1/20 0.50

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
SCHEMBL8317992 0.92 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999303 0.88 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8482305 0.88 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990473 0.86 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997067 0.86 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998708 0.85 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.85 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316262 0.85 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL7579496 0.84 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.84 EGFR (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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