SCHEMBL16498181

SCHEMBL16498181

Oc1c2cnc(Cl)nc2nn1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GRM1 Q13255 2/20 0.36
GRM5 P41594 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4A O75164 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
S1PR4 O95977 1/20 0.34
THRB P10828 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR1 P21453 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29090398 0.80 RPS6KA5 (0.31) KDM4E
SCHEMBL16512389 0.80 BCAT1 (0.38) MAPTGSK3AGSK3BGRM1KDM4A
SCHEMBL30881429 0.70 CCNA2 (0.47) MAPTGSK3AGSK3BALDH1A1KDM4E
SCHEMBL342903 0.68 ADORA3 (0.49) MAPTESR2ALDH1A1KDM4EHPGD
SCHEMBL2546778 0.68 KHK (0.54) MAPTGSK3AGSK3BALDH1A1KDM4E
SCHEMBL16498506 0.67 SRC (0.42) MAPTESR2ALDH1A1KDM4EHPGD
SCHEMBL343580 0.66 KDM4E (0.56) MAPTGRM1GRM5ALDH1A1KDM4E
SCHEMBL16499060 0.65 KDM4E (0.38) MAPTESR2ALDH1A1KDM4EHPGD
SCHEMBL17112172 0.65 EGFR (0.43) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL22057635 0.64 MAPK1 (0.54) MAPTGRM1GRM5ALDH1A1KDM4E

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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 WO disclosed
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 WO disclosed