SCHEMBL4552944

SCHEMBL4552944

CN1CCCNCC1.COc1cc(CCc2cc(NC(=O)c3cnc(N4CCCN(C)CC4)cn3)[nH]n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.42
FGFR3 P22607 5/20 0.41
FGFR2 P21802 4/20 0.40
HDAC3 O15379 8/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC1 Q13547 2/20 0.36
KDR P35968 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
SCHEMBL63714 0.95 FGFR1 (0.45) FGFR1FGFR3FGFR2HDAC3HDAC2
SCHEMBL4553987 0.90 FGFR2 (0.36) FGFR1FGFR3FGFR2HDAC3HDAC2
SCHEMBL4566306 0.89 FGFR2 (0.38) FGFR1FGFR3FGFR2HDAC3HDAC2
SCHEMBL4554749 0.88 FGFR2 (0.37) FGFR1FGFR3FGFR2HDAC3HDAC2
SCHEMBL4553724 0.88 HDAC3 (0.34) FGFR1FGFR3FGFR2HDAC3HDAC2
SCHEMBL63243 0.86 FGFR2 (0.39) FGFR1FGFR3FGFR2KDR
SCHEMBL65366 0.85 FGFR2 (0.40) FGFR1FGFR3FGFR2
SCHEMBL64110 0.84 FGFR2 (0.40) FGFR1FGFR3FGFR2KDR
SCHEMBL63669 0.83 FGFR3 (0.37) FGFR1FGFR3FGFR2HDAC3HDAC2
SCHEMBL64180 0.82 FGFR2 (0.40) FGFR1FGFR3FGFR2KDR

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