SCHEMBL4554749

SCHEMBL4554749

C1CNCCN(C2CC2)C1.COc1cc(CCc2cc(NC(=O)c3cnc(N4CCCN(C5CC5)CC4)cn3)[nH]n2)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.37
FGFR3 P22607 5/20 0.36
FGFR1 P11362 4/20 0.36
KDR P35968 2/20 0.36
FGFR4 P22455 1/20 0.36
HDAC3 O15379 6/20 0.35
HDAC2 Q92769 5/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HDAC1 Q13547 1/20 0.34
NTRK1 P04629 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
MARK3 P27448 1/20 0.34
TNK2 Q07912 1/20 0.34
DDR1 Q08345 1/20 0.34
MAP4K2 Q12851 1/20 0.34
MAP3K11 Q16584 1/20 0.34
DDR2 Q16832 1/20 0.34
MARK2 Q7KZI7 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34

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
SCHEMBL64110 0.95 FGFR2 (0.40) FGFR2FGFR3FGFR1KDRFGFR4
SCHEMBL64180 0.92 FGFR2 (0.40) FGFR2FGFR3FGFR1KDRFGFR4
SCHEMBL4552944 0.88 FGFR1 (0.42) FGFR2FGFR3FGFR1KDRHDAC3
SCHEMBL4553987 0.88 FGFR2 (0.36) FGFR2FGFR3FGFR1KDRHDAC3
SCHEMBL6112756 0.87 FGFR1 (0.43) FGFR2FGFR3FGFR1KDRFGFR4
SCHEMBL64244 0.87 FGFR3 (0.44) FGFR2FGFR3FGFR1KDRFGFR4
SCHEMBL4566306 0.86 FGFR2 (0.38) FGFR2FGFR3FGFR1HDAC3HDAC2
SCHEMBL64065 0.86 FGFR1 (0.47) FGFR2FGFR3FGFR1KDRFGFR4
SCHEMBL4553724 0.85 HDAC3 (0.34) FGFR2FGFR3FGFR1FGFR4HDAC3
SCHEMBL63714 0.84 FGFR1 (0.45) FGFR2FGFR3FGFR1KDRFGFR4

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