SCHEMBL18131808

SCHEMBL18131808

CCN1CCN(c2cc(C)c(Nc3ncc(C#Cc4c(F)c(OC)cc(OC)c4F)cn3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 7/20 0.51
▸ FGFR1 P11362 7/20 0.51
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ PTK2 Q05397 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PDGFRA P16234 2/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ FGFR2 P21802 2/20 0.33
▸ FGFR3 P22607 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ LCK P06239 1/20 0.33

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
SCHEMBL18131708 0.89 MAPT (0.39) FGFR4FGFR1ALDH1A1L3MBTL1KMT2A
SCHEMBL18134032 0.87 FGFR1 (0.52) FGFR4FGFR1CHEK1MAPTPDGFRA
SCHEMBL18131810 0.85 FGFR1 (0.70) FGFR4FGFR1CYP2D6FGFR2FGFR3
SCHEMBL18131815 0.82 FGFR4 (0.75) FGFR4FGFR1CYP2D6FGFR2FGFR3
SCHEMBL18134166 0.82 FGFR4 (0.66) FGFR4FGFR1ALDH1A1CYP2D6L3MBTL1
SCHEMBL18131697 0.80 FGFR4 (0.40) FGFR4FGFR1ALDH1A1CYP2D6KMT2A
SCHEMBL21756598 0.79 FGFR1 (0.48) FGFR4FGFR1ALDH1A1CYP2D6L3MBTL1
SCHEMBL18131690 0.78 FGFR4 (0.50) FGFR4FGFR1ALDH1A1CYP2D6L3MBTL1
SCHEMBL18134024 0.75 FGFR1 (0.39) FGFR4FGFR1JAK2INSRKIT
SCHEMBL18131707 0.74 FGFR4 (0.56) FGFR4FGFR1CYP2D6FGFR2FGFR3

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
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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