SCHEMBL4433568

SCHEMBL4433568

CCN1CCN(c2ncc(C(=O)OC)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.50
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
PTPN11 Q06124 1/20 0.46
AOC3 Q16853 1/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL64733 0.95 OGA (0.47) OGAHDAC3HDAC1HDAC2HDAC8
SCHEMBL64090 0.83 HDAC3 (0.57) OGAHDAC3HDAC1HDAC2HDAC8
SCHEMBL23370098 0.83 MAPT (0.54) OGAHDAC3HDAC1HDAC2HDAC8
SCHEMBL19295845 0.82 OGA (0.52) OGAHDAC3HDAC1HDAC2HDAC8
SCHEMBL4456976 0.82 PTPN11 (0.48) HDAC3HDAC1HDAC2HDAC8PTPN11
SCHEMBL7528163 0.82 KMT2A (0.68) OGAAOC3KMT2ANPC1RAB9A
SCHEMBL15341329 0.81 MAPT (0.53) OGAAOC3KMT2ANPC1RAB9A
SCHEMBL3957492 0.81 HDAC6 (0.57) HDAC3HDAC1HDAC2HDAC8KMT2A
SCHEMBL15341333 0.80 OGA (0.46) OGAHDAC3HDAC1HDAC2HDAC8
SCHEMBL64037 0.80 OGA (0.43) OGAHDAC3HDAC1HDAC2HDAC8

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