SCHEMBL8370506

SCHEMBL8370506

O=C1C=C(Nc2ccc(O)cc2)C(=O)c2nc(-c3ccccn3)c(-c3ccccn3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
BLM P54132 4/20 0.51
MAPK1 P28482 3/20 0.51
JAK2 O60674 1/20 0.51
EPHB2 P29323 1/20 0.51
CDK4 P11802 3/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 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
DNM1 Q05193 1/20 0.47
NR4A1 P22736 1/20 0.46
VCP P55072 1/20 0.46
NQO1 P15559 2/20 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
SCHEMBL8368953 0.90 SMN1; SMN2 (0.59) MAPTRAB9ATDP1BLMMAPK1
SCHEMBL8369531 0.88 CASP3 (0.51) MAPTRAB9ATDP1BLMMAPK1
SCHEMBL8368659 0.87 MAPT (0.48) MAPTRAB9ATDP1BLMMAPK1
SCHEMBL8368813 0.85 CDK4 (0.53) MAPTRAB9ATDP1MAPK1CDK4
SCHEMBL8371701 0.80 SMN1; SMN2 (0.45) MAPTRAB9ATDP1CDK4MEN1
SCHEMBL8370509 0.75 CASP3 (0.48) MAPTTDP1BLMCDK4MEN1
SCHEMBL8541266 0.74 AGTR1 (0.43) MAPTRAB9ATDP1BLMMEN1
SCHEMBL8371662 0.73 CDK4 (0.50) MAPTRAB9ATDP1CDK4MEN1
SCHEMBL8367237 0.72 MAPT (0.55) MAPTRAB9ATDP1BLMMAPK1
SCHEMBL14067720 0.72 KDM4E (0.55) MAPTRAB9ATDP1BLMMAPK1

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