SCHEMBL4338327

SCHEMBL4338327

CCCCCn1cc(C#N)c(N)n1.CCCCCn1ncc(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SAE1 Q9UBE0 1/20 0.33

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
SCHEMBL2073708 0.87 PKM (0.49) PKMKDM4EGAAHSD17B10KMT2A
SCHEMBL2076920 0.87 KDR (0.49) KDRKDM4EGAAHSD17B10KMT2A
SCHEMBL1741589 0.86 KDR (0.51) KDRKDM4EGAAHSD17B10KMT2A
SCHEMBL1741794 0.86 KDR (0.51) KDRKDM4EGAAHSD17B10KMT2A
SCHEMBL1741752 0.86 PKM (0.48) PKMKDM4EGAAHSD17B10KMT2A
SCHEMBL1742916 0.86 KDR (0.51) KDRKDM4EGAAHSD17B10KMT2A
SCHEMBL1740693 0.86 PKM (0.48) PKMKDM4EGAAHSD17B10KMT2A
SCHEMBL1742738 0.86 PKM (0.48) PKMKDM4EGAAHSD17B10KMT2A
SCHEMBL1740452 0.86 KDR (0.51) KDRKDM4EGAAHSD17B10KMT2A
SCHEMBL11899586 0.86 PKM (0.48) PKMKDM4EGAAHSD17B10KMT2A

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-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed