SCHEMBL9879445

SCHEMBL9879445

Oc1cc2nccnc2cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
DAO P14920 1/20 0.39
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA1 P02708 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
SCHEMBL11770393 0.81 ALOX15 (0.37) DAOCCNB2CDK1CCNB1CCNB3
SCHEMBL1612114 0.78 CHRNB4 (0.40) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL7635136 0.75 MCL1 (0.46) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL24924714 0.75 HTT (0.39) MEN1KMT2AALDH1A1ESR1PKM
SCHEMBL24253522 0.75 LMNA (0.44) ALDH1A1CASP1CASP7HPGDPKM
SCHEMBL24924883 0.75 DAO (0.31) DAOMEN1KMT2AHPGDMAPT
SCHEMBL29849306 0.74 CHRNB4 (0.39) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL14128913 0.73 PDGFRB (0.38) EGFRPDGFRBPDGFRADAOMEN1
SCHEMBL16878764 0.72 MYC (0.56) EGFRMEN1KMT2AALDH1A1HPGD
SCHEMBL9979780 0.72 MAPT (0.46) EGFRPDGFRBPDGFRAMEN1KMT2A

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
US-5037983-A 6,7-dihydroxyquinoxalines as intermediates to beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1991-08-06 US disclosed