SCHEMBL6998715

SCHEMBL6998715

O[C@H]1CC[C@H](Nc2ncc3ncnc(Nc4cccc(OC(F)(F)F)c4)c3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.50
EGFR P00533 3/20 0.49
ERBB2 P04626 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SYK P43405 1/20 0.48
CDK1 P06493 2/20 0.47
CSNK2A1 P68400 2/20 0.46
CTSC P53634 1/20 0.46
GALR2 O43603 1/20 0.45
GALR1 P47211 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
PIM1 P11309 2/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 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
SCHEMBL6998709 1.00 BRAF (0.50) BRAFEGFRERBB2HPGDHTT
SCHEMBL8314012 0.95 SYK (0.53) BRAFEGFRERBB2HPGDHTT
SCHEMBL6993311 0.92 BRAF (0.48) BRAFEGFRERBB2HPGDHTT
SCHEMBL6993308 0.92 BRAF (0.48) BRAFEGFRERBB2HPGDHTT
SCHEMBL8317921 0.89 BRAF (0.52) BRAFEGFRERBB2HPGDHTT
SCHEMBL8317917 0.89 BRAF (0.52) BRAFEGFRERBB2HPGDHTT
SCHEMBL6993315 0.88 BRAF (0.49) BRAFEGFRERBB2HPGDHTT
SCHEMBL6994609 0.87 BRAF (0.51) BRAFEGFRERBB2HPGDHTT
SCHEMBL6994605 0.87 BRAF (0.51) BRAFEGFRERBB2HPGDHTT
SCHEMBL8320277 0.85 CSNK2A1 (0.56) BRAFEGFRERBB2HPGDHTT

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 1 patent. 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