SCHEMBL8043772

SCHEMBL8043772

C=C(Nc1nn(CCC)c2nc(-c3cnn4ccccc34)c(F)cc12)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
ATM Q13315 4/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 7/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
JAK2 O60674 6/20 0.36
JAK1 P23458 6/20 0.36
JAK3 P52333 6/20 0.36
HPGD P15428 4/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7950686 0.97 KDM4E (0.38) KDM4EL3MBTL1ATMMAPK1MAPT
SCHEMBL7942597 0.83 CCNT1 (0.40) KMT2AMEN1JAK2JAK1JAK3
SCHEMBL7952511 0.82 ALDH1A1 (0.50) KDM4EL3MBTL1ATMMAPK1MAPT
SCHEMBL7954528 0.81 CCNT1 (0.41) KDM4EL3MBTL1ATMMAPK1ALDH1A1
SCHEMBL8049613 0.78 ATM (0.42) KDM4EL3MBTL1ATMMAPK1MAPT
SCHEMBL13099782 0.78 CCNT1 (0.39) JAK2JAK1JAK3PIK3CBIGF1R
SCHEMBL8041792 0.78 PIK3CB (0.43) MAPK1JAK2JAK1CYP3A4PIK3CB
SCHEMBL13099790 0.77 CCNT1 (0.42) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL8049619 0.75 KDM4E (0.39) KDM4EL3MBTL1ATMMAPK1MAPT
SCHEMBL7950685 0.75 ALDH1A1 (0.43) KDM4EL3MBTL1ATMMAPK1MAPT

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-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO disclosed