SCHEMBL4553724

SCHEMBL4553724

C=CCN1CCCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)n[nH]3)cn2)CC1.C=CCN1CCCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.34
HDAC2 Q92769 6/20 0.34
HDAC1 Q13547 2/20 0.34
FGFR1 P11362 5/20 0.34
FGFR3 P22607 4/20 0.34
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NTRK1 P04629 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
MARK3 P27448 1/20 0.32
TNK2 Q07912 1/20 0.32
DDR1 Q08345 1/20 0.32
MAP4K2 Q12851 1/20 0.32
MAP3K11 Q16584 1/20 0.32
DDR2 Q16832 1/20 0.32
MARK2 Q7KZI7 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.32

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
SCHEMBL63669 0.95 FGFR3 (0.37) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL4553987 0.92 FGFR2 (0.36) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL4552944 0.88 FGFR1 (0.42) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL63243 0.86 FGFR2 (0.39) FGFR1FGFR3FGFR2PARP1PARP2
SCHEMBL4566306 0.86 FGFR2 (0.38) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL4554749 0.85 FGFR2 (0.37) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL63714 0.84 FGFR1 (0.45) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL64215 0.82 HDAC3 (0.41) HDAC3HDAC2HDAC1FGFR1FGFR3
SCHEMBL65366 0.82 FGFR2 (0.40) FGFR1FGFR3FGFR2PARP1NTRK1
SCHEMBL64110 0.81 FGFR2 (0.40) FGFR1FGFR3FGFR2FGFR4PARP1

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