SCHEMBL27728136

SCHEMBL27728136

N#Cc1cnc2cc(OCCCN3CCOCC3)c(N)cc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.82
ERBB2 P04626 3/20 0.82
MAP3K8 P41279 4/20 0.71
SRC P12931 6/20 0.66
MAP2K1 Q02750 8/20 0.65
MAPK13 O15264 1/20 0.65
PRKD3 O94806 1/20 0.65
PRKCG P05129 1/20 0.65
PRKCB P05771 1/20 0.65
PRKCA P17252 1/20 0.65
PRKCH P24723 1/20 0.65
PRKCI P41743 1/20 0.65
MAPK12 P53778 1/20 0.65
PRKCE Q02156 1/20 0.65
PRKCQ Q04759 1/20 0.65
PRKCZ Q05513 1/20 0.65
PRKCD Q05655 1/20 0.65
PRKD1 Q15139 1/20 0.65
MAPK11 Q15759 1/20 0.65
MAPK14 Q16539 1/20 0.65

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
SCHEMBL6383141 0.90 EGFR (1.00) EGFRERBB2SRCMAP2K1FYN
SCHEMBL2023939 0.85 EGFR (0.69) EGFRERBB2MAP3K8SRC
SCHEMBL1894502 0.84 MAP3K8 (0.65) EGFRERBB2MAP3K8SRCMAP2K1
Hydrochloric Acid SCHEMBL13505731 0.84 EGFR (0.68) EGFRERBB2MAP3K8SRC
SCHEMBL3600034 0.83 EGFR (0.72) EGFRERBB2SRC
SCHEMBL6070984 0.83 MAP3K8 (1.00) EGFRERBB2MAP3K8SRCMAP2K1
SCHEMBL6070981 0.83 MAP3K8 (0.73) EGFRERBB2MAP3K8SRCMAP2K1
SCHEMBL2963866 0.83 EGFR (0.80) EGFRERBB2SRCMAP2K1PRKD3
SCHEMBL1892908 0.83 EGFR (0.79) EGFRERBB2MAP3K8SRCMAP2K1
SCHEMBL5251901 0.82 EGFR (0.83) EGFRERBB2MAP3K8SRCMAP2K1

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
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed