SCHEMBL1939626

SCHEMBL1939626

Nc1ncnc2c1c(Sc1ccc(NS(=O)(=O)c3c(F)cccc3F)cc1)cn2C1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.70
ERBB2 P04626 8/20 0.70
ERBB3 P21860 8/20 0.70
TEK Q02763 8/20 0.70
ERBB4 Q15303 8/20 0.70
RET P07949 5/20 0.47
KDR P35968 3/20 0.46
EIF2AK3 Q9NZJ5 3/20 0.45
ABL1 P00519 6/20 0.43
SRC P12931 5/20 0.43
ABL2 P42684 5/20 0.43
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
IGF1R P08069 2/20 0.42
FGFR1 P11362 2/20 0.42
FLT1 P17948 2/20 0.42
FLT3 P36888 2/20 0.42
MST1R Q04912 2/20 0.42
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 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
SCHEMBL1939789 0.87 EGFR (0.61) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1939637 0.86 EGFR (0.52) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1941400 0.82 EGFR (0.72) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1941063 0.82 EGFR (1.00) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1940439 0.78 EGFR (0.70) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1941052 0.77 EGFR (1.00) EGFRERBB2ERBB3TEKERBB4
SCHEMBL5113866 0.76 EGFR (0.89) EGFRERBB2ERBB3TEKERBB4
SCHEMBL2075923 0.76 EGFR (0.63) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1940497 0.76 EGFR (0.70) EGFRERBB2ERBB3TEKERBB4
SCHEMBL1939985 0.75 EGFR (0.54) EGFRERBB2ERBB3TEKERBB4

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-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed