SCHEMBL1939985

SCHEMBL1939985

Nc1ncnc2c1c(Sc1ccc(NC(=O)Nc3ccc(F)cc3F)cc1)cn2C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.54
ERBB2 P04626 6/20 0.54
ERBB3 P21860 6/20 0.54
ERBB4 Q15303 6/20 0.54
TEK Q02763 5/20 0.54
NEK7 Q8TDX7 12/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.48
RET P07949 1/20 0.46

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
SCHEMBL1941101 0.91 EGFR (0.56) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941400 0.86 EGFR (0.72) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941067 0.85 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939637 0.81 EGFR (0.52) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940497 0.80 EGFR (0.70) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940959 0.79 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942596 0.79 EGFR (0.61) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL5123156 0.78 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939626 0.75 EGFR (0.70) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940585 0.73 EIF2AK3 (0.51) EGFRERBB2ERBB3ERBB4TEK

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