SCHEMBL2852113

SCHEMBL2852113

CCCCn1ncc2c(Nc3cccc(C)c3)nc(Cl)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
SRC P12931 9/20 0.48
HCK P08631 1/20 0.48
PIM1 P11309 1/20 0.48
FYN P06241 2/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2788332 0.83 PIK3CA (0.55) MAPTALDH1A1KDM4ELMNASRC
SCHEMBL2785338 0.81 SRC (0.56) SRCHCKPIM1MEN1KMT2A
SCHEMBL2195032 0.75 HTR2C (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2810178 0.75 GAA (0.56) MAPTSRCMEN1KMT2AGAA
SCHEMBL2861478 0.74 MAPT (0.56) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL30095837 0.72 PDE2A (0.39)
SCHEMBL2804826 0.72 PDE2A (0.39)
SCHEMBL13943683 0.72 HTR2C (0.76) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL2804593 0.71 ALDH1A1 (0.54) MAPTALDH1A1KDM4ELMNASRC
SCHEMBL17726004 0.71 FYN (0.71) SRCHCKPIM1FYNABL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed