SCHEMBL4441526

SCHEMBL4441526

COc1cc(COc2cc(NC(=O)c3ccccc3[N+]3(C)CCNCC3C)[nH]n2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 4/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4441793 0.79 FGFR1 (0.39) FGFR4FGFR1FGFR2FGFR3MAOA
SCHEMBL4440134 0.74 FGFR1 (0.36) FGFR4FGFR1FGFR2FGFR3MAOA
SCHEMBL4438519 0.73 FGFR3 (0.45) FGFR4FGFR1FGFR2FGFR3ALDH1A1
SCHEMBL64313 0.72 NPC1 (0.53) MAOBALDH1A1MEN1KMT2AKDM4E
SCHEMBL63963 0.69 CLK2 (0.48) FGFR1KDM4EHPGD
SCHEMBL64317 0.68 FGFR1 (0.64) FGFR1FGFR2FGFR3ALDH1A1KMT2A
SCHEMBL4441714 0.68 KDM4E (0.36) FGFR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4440401 0.68 MAPT (0.46) FGFR4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL64802 0.68 NFKB1 (0.40) FGFR4ALDH1A1KDM4ELMNAHTT
SCHEMBL62670 0.67 FGFR1 (0.52) FGFR1FGFR2ALDH1A1KMT2AKDM4E

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 — — EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
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