SCHEMBL12534441

SCHEMBL12534441

COc1cc2c(Nc3ccc(F)cc3F)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.85
FGFR1 P11362 14/20 0.85
FLT1 P17948 14/20 0.85
KDR P35968 14/20 0.85
FLT4 P35916 13/20 0.85
PDGFRB P09619 2/20 0.85
TEK Q02763 2/20 0.85
RET P07949 2/20 0.85
BMPR1B O00238 1/20 0.85
PLK4 O00444 1/20 0.85
CIT O14578 1/20 0.85
GAK O14976 1/20 0.85
EPHB6 O15197 1/20 0.85
RIPK2 O43353 1/20 0.85
ROCK2 O75116 1/20 0.85
STK10 O94804 1/20 0.85
MAP4K4 O95819 1/20 0.85
ABL1 P00519 1/20 0.85
ERBB2 P04626 1/20 0.85
LCK P06239 1/20 0.85

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
Vandetanib SCHEMBL28224661 0.92 EGFR (1.00) EGFRFGFR1FLT1KDRFLT4
Vandetanib SCHEMBL9044 0.92 EGFR (1.00) EGFRFGFR1FLT1KDRFLT4
Vandetanib SCHEMBL29352879 0.92 EGFR (1.00) EGFRFGFR1FLT1KDRFLT4
SCHEMBL2136770 0.92 EGFR (1.00) EGFRFGFR1FLT1KDRFLT4
Vandetanib SCHEMBL1614458 0.91 EGFR (1.00) EGFRFGFR1FLT1KDRFLT4
SCHEMBL2137353 0.91 EGFR (0.98) EGFRFGFR1FLT1KDRFLT4
Vandetanib SCHEMBL4637084 0.91 EGFR (0.98) EGFRFGFR1FLT1KDRFLT4
SCHEMBL15445277 0.91 EGFR (0.80) EGFRFGFR1FLT1KDRFLT4
SCHEMBL8173228 0.91 EGFR (0.82) EGFRFGFR1FLT1KDRFLT4
SCHEMBL21473656 0.91 EGFR (0.81) EGFRFGFR1FLT1KDRFLT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130711-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130711-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed