SCHEMBL4724183

SCHEMBL4724183

Nc1cc(=O)nc(Nc2ccc(N3CCOCC3)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
XDH P47989 1/20 0.48
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IGF1R P08069 2/20 0.44
KDM1A O60341 1/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
JAK2 O60674 1/20 0.43
ZAP70 P43403 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 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
SCHEMBL14547699 0.82 XDH (0.54) MAPTMAPK1TP53XDHGAA
SCHEMBL4790518 0.75 XDH (0.51) MAPTTP53XDHSMN1; SMN2PDE3B
SCHEMBL4382248 0.73 TTBK1 (0.56) MAPTMAPK1TP53KDM1ATTBK1
SCHEMBL16423097 0.73 MAPK10 (0.49) MAPTMAPK1TP53GAAXBP1
SCHEMBL4411964 0.72 TTBK1 (0.49) MAPTMAPK1TP53HTTIGF1R
SCHEMBL4075886 0.71 SYK (0.46) MAPTMAPK1TP53XDHJAK2
SCHEMBL15640618 0.71 CA12 (0.52) JAK2KITFLT3PIK3CA
SCHEMBL15127731 0.71 IGF1R (0.67) MAPTMAPK1TP53IGF1RTTBK1
SCHEMBL7980595 0.71 MAPT (0.62) MAPTMAPK1TP53GAAHTT
SCHEMBL23712415 0.70 MAPK10 (0.50) MAPTMAPK1TP53XBP1HTT

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-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed