SCHEMBL4438519

SCHEMBL4438519

COc1cc(CCc2cc(NC(=O)c3ccccc3[N+]3(C)CCNCC3)[nH]n2)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 10/20 0.45
FGFR2 P21802 9/20 0.45
FGFR1 P11362 8/20 0.45
FGFR4 P22455 2/20 0.45
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
MARK3 P27448 1/20 0.36
TNK2 Q07912 1/20 0.36
DDR1 Q08345 1/20 0.36
MAP4K2 Q12851 1/20 0.36
MAP3K11 Q16584 1/20 0.36
DDR2 Q16832 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MAP4K1 Q92918 1/20 0.36
AURKB Q96GD4 1/20 0.36
EIF2AK1 Q9BQI3 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
STK26 Q9P289 1/20 0.36

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
SCHEMBL4441371 0.87 AURKA (0.37) FGFR3FGFR2FGFR1FGFR4AURKB
SCHEMBL63188 0.78 NPC1 (0.52) FGFR3FGFR2FGFR1FGFR4NTRK1
SCHEMBL23044914 0.77 FGFR1 (0.43) FGFR3FGFR2FGFR1FGFR4NTRK1
SCHEMBL4435657 0.77 FGFR1 (0.44) FGFR3FGFR2FGFR1FGFR4NTRK1
SCHEMBL21430979 0.76 FGFR4 (0.74) FGFR3FGFR2FGFR1FGFR4
SCHEMBL29696217 0.76 FGFR4 (0.74) FGFR3FGFR2FGFR1FGFR4
SCHEMBL23044913 0.76 FGFR1 (0.41) FGFR3FGFR2FGFR1FGFR4NTRK1
SCHEMBL4441496 0.76 FGFR1 (0.42) FGFR3FGFR2FGFR1FGFR4NTRK1
SCHEMBL62807 0.75 NPC1 (0.51) FGFR3FGFR2FGFR1FGFR4NTRK1
Benzoyl Chloride SCHEMBL4435271 0.75 NPC1 (0.48) FGFR3FGFR2FGFR1FGFR4NTRK1

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