SCHEMBL3652102

SCHEMBL3652102

O=C1Nc2cc(C(=O)c3c[c]ccc3)ccc2C1=CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 3/20 0.41
TGM2 P21980 5/20 0.40
RAF1 P04049 1/20 0.39
PIM1 P11309 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
JAK3 P52333 1/20 0.37
MAP3K7 O43318 2/20 0.37
TAB1 Q15750 2/20 0.37
NTRK1 P04629 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL3652100 1.00 TLK2 (0.41) TLK2TGM2RAF1PIM1ALDH1A1
SCHEMBL4756765 0.90 TLK2 (0.51) TLK2RAF1JAK3NTRK1CCNB2
SCHEMBL3580637 0.81 PDPK1 (0.47) TLK2TGM2RAF1PIM1ALDH1A1
SCHEMBL3572836 0.80 AURKB (0.38) TLK2TGM2RAF1JAK3NTRK1
SCHEMBL3580640 0.80 PIM1 (0.51) TLK2TGM2RAF1PIM1ALDH1A1
SCHEMBL3580971 0.79 PIM1 (0.46) TLK2TGM2RAF1PIM1ALDH1A1
SCHEMBL3580973 0.78 PIM1 (0.54) TLK2TGM2RAF1PIM1ALDH1A1
SCHEMBL2573839 0.76 PIM1 (0.57) TLK2TGM2PIM1ALDH1A1MAPT
SCHEMBL2573841 0.76 PIM1 (0.57) TLK2TGM2PIM1ALDH1A1MAPT
SCHEMBL3811917 0.76 MAOA (0.42) TGM2PIM1ALDH1A1MAPTLMNA

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-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed