SCHEMBL4553987

SCHEMBL4553987

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 6/20 0.36
HDAC3 O15379 6/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC1 Q13547 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
FGFR1 P11362 2/20 0.35
FGFR3 P22607 3/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MCHR1 Q99705 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
SCHEMBL63243 0.95 FGFR2 (0.39) FGFR2TP53MAPTRAD52FGFR1
SCHEMBL4553724 0.92 HDAC3 (0.34) FGFR2HDAC3HDAC2HDAC1FGFR1
SCHEMBL4552944 0.90 FGFR1 (0.42) FGFR2HDAC3HDAC2HDAC1FGFR1
SCHEMBL4566306 0.88 FGFR2 (0.38) FGFR2HDAC3HDAC2HDAC1FGFR1
SCHEMBL4554749 0.88 FGFR2 (0.37) FGFR2HDAC3HDAC2HDAC1FGFR1
SCHEMBL63714 0.86 FGFR1 (0.45) FGFR2HDAC3HDAC2HDAC1FGFR1
SCHEMBL63669 0.86 FGFR3 (0.37) FGFR2HDAC3HDAC2HDAC1FGFR1
SCHEMBL65366 0.84 FGFR2 (0.40) FGFR2FGFR1FGFR3PARP1
SCHEMBL64110 0.83 FGFR2 (0.40) FGFR2TP53FGFR1FGFR3KDR
SCHEMBL64151 0.81 HDAC3 (0.43) FGFR2HDAC3HDAC2HDAC1TP53

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