SCHEMBL20124296

SCHEMBL20124296

C=Cc1sc2cccnc2c1N=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.36
CLK1 P49759 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL19731973 0.83 LIMK1 (0.34) LIMK1CLK1KDM4EMAPTMEN1
SCHEMBL20858439 0.68 KDM4E (0.36) LIMK1CLK1KDM4EMAPTMEN1
SCHEMBL10054253 0.68 LIMK1 (0.57) LIMK1CLK1KDM4EMAPTALDH1A1
SCHEMBL20041730 0.66 NPC1 (0.37) LIMK1CLK1KDM4EMAPTMEN1
SCHEMBL25467714 0.64 LIMK1 (0.36) LIMK1CLK1KDM4EPOLBALDH1A1
SCHEMBL17127170 0.64 PIM1 (0.40) LIMK1CLK1KDM4EMAPTMEN1
SCHEMBL720703 0.63 HSP90AA1 (0.41) LIMK1CLK1KDM4EMAPTMEN1
SCHEMBL24623724 0.61 LIMK1 (0.46) LIMK1CLK1KDM4EMAPTALDH1A1
SCHEMBL17051494 0.60 LIMK1 (0.49) LIMK1CLK1KDM4EMAPTPOLB
SCHEMBL149872 0.60 GPR3 (0.54) LIMK1CLK1KDM4EMAPTMEN1

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
EP-3318566-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2018-05-09 EP disclosed