SCHEMBL1941308

SCHEMBL1941308

Nc1ncnc2c1c(C(=O)c1cccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c1)cn2C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 12/20 0.72
EGFR P00533 9/20 0.72
ERBB2 P04626 8/20 0.72
ERBB3 P21860 8/20 0.72
ERBB4 Q15303 8/20 0.72
RET P07949 1/20 0.63
KDR P35968 5/20 0.59
LCK P06239 5/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RGS12 O14924 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
FYN P06241 1/20 0.52
LYN P07948 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL1941270 0.95 TEK (0.71) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941176 0.94 TEK (0.70) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1939438 0.93 EGFR (0.79) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941074 0.93 TEK (0.66) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1942104 0.92 EGFR (0.73) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940346 0.92 EGFR (0.75) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1942829 0.90 EGFR (0.72) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940005 0.89 EGFR (0.74) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940006 0.89 EGFR (0.76) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940879 0.89 EGFR (0.81) TEKEGFRERBB2ERBB3ERBB4

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