SCHEMBL8368659

SCHEMBL8368659

O=C1C=C(Nc2ccc(O)cc2)C(=O)c2ncc(-c3ccccn3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 4/20 0.48
BLM P54132 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 3/20 0.48
JAK2 O60674 1/20 0.48
EPHB2 P29323 1/20 0.48
CDK4 P11802 3/20 0.46
NR4A1 P22736 1/20 0.46
VCP P55072 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GUCY1B2 O75343 1/20 0.45
GUCY1A2 P33402 1/20 0.45
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45
DNM1 Q05193 1/20 0.43
PADI1 Q9ULC6 1/20 0.39

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
SCHEMBL8370509 0.89 CASP3 (0.48) MAPTBLMTDP1CDK4SMN1; SMN2
SCHEMBL8370506 0.87 MAPT (0.51) MAPTRAB9ABLMTDP1MAPK1
SCHEMBL8371662 0.86 CDK4 (0.50) MAPTRAB9ATDP1CDK4SMN1; SMN2
SCHEMBL8368953 0.77 SMN1; SMN2 (0.59) MAPTRAB9ABLMTDP1MAPK1
SCHEMBL8369531 0.75 CASP3 (0.51) MAPTRAB9ABLMTDP1MAPK1
SCHEMBL8368813 0.73 CDK4 (0.53) MAPTRAB9ATDP1MAPK1CDK4
SCHEMBL8368651 0.70 S100A4 (0.60)
SCHEMBL8367303 0.69 CDK4 (0.45) MAPTRAB9ABLMTDP1CDK4
SCHEMBL8368653 0.69 MAPT (0.70) MAPTRAB9ABLMTDP1MAPK1
SCHEMBL21434176 0.68 MAPT (0.54) MAPTRAB9ABLMTDP1MAPK1

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