SCHEMBL8369508

SCHEMBL8369508

COc1ccc(NC2=CC(=O)c3nccnc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.60
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GUCY1B2 O75343 1/20 0.48
GUCY1A2 P33402 1/20 0.48
GUCY1A1 Q02108 1/20 0.48
GUCY1B1 Q02153 1/20 0.48
STAT3 P40763 1/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
IDO1 P14902 2/20 0.46
MAPK1 P28482 3/20 0.44
THRB P10828 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL10506975 0.84 ALDH1A1 (0.71) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8371672 0.84 CDK4 (0.58) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8368915 0.82 CDK4 (0.65) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8367302 0.81 CDK4 (0.56) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8368653 0.80 MAPT (0.70) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8368813 0.79 CDK4 (0.53) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8371662 0.79 CDK4 (0.50) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL19409875 0.78 MAPT (0.61) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL19331529 0.78 CDK4 (0.51) CDK4MAPTALDH1A1TDP1MEN1
SCHEMBL8370522 0.78 CDK4 (0.57) CDK4MAPTALDH1A1TDP1MEN1

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-1999052365-A1 ANTICANCER AGENTS ELI LILLY AND COMPANY (US) 1999-10-21 WO disclosed